Si-SUBSTITUTED LITHIUM THIOBORATE MATERIAL WITH HIGH LITHIUM ION CONDUCTIVITY FOR USE AS SOLID-STATE ELECTROLYTE AND ELECTRODE ADDITIVE

Abstract

Aspects disclosed herein include materials comprising: a lithium thioborate composition characterized by formula FX1: Li.sub.3?z[B+Q].sub.1[S+G].sub.3 (FX1); wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein z is a number greater than 0 and less than or equal to 0.40, optionally less than or equal to 0.05; and wherein the composition comprises only the first dopant, only the second dopant, or both the first dopant and the second dopant.

Claims

1. A material comprising: a lithium thioborate composition characterized by formula FX4:
Li.sub.3?yBS.sub.3?yG.sub.y(FX4); wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

2. A material comprising: a lithium thioborate composition characterized by formula FX2:
Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein x is a number greater than 0 and less than or equal to 0.10; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

3. The material of claim 1 having a greater ionic conductivity than that of an undoped stoichiometric Li.sub.3BS.sub.3 material by a factor of at least 10 at 25? C., wherein the undoped stoichiometric Li.sub.3BS.sub.3 is free of Q and G.

4. The material of claim 1 being characterized by an ionic conductivity greater than 1.Math.10.sup.?4 S/cm at 25? C.

5. The material of claim 1 being characterized by an ionic conductivity greater than or equal to 1.Math.10.sup.?3 S/cm at 25? C.

6. The material of claim 2, wherein the composition is characterized by the ratio Q/(B+Q) being greater than 0.001 and less than 0.20.

7. The material of claim 2, wherein the composition is characterized by the ratio Q/(B+Q) being greater than 0.020 and less than 0.075.

8. The material of claim 2, wherein Q is Si and/or Ge.

9. The material of claim 1, wherein the composition is characterized by the ratio G/(S+G) being greater than 0.001 and less than 0.20.

10. The material of claim 1, wherein the composition is characterized by the ratio G/(S+G) being greater than 0.020 and less than 0.2.

11. The material of claim 1, wherein G is Cl and/or Br.

12. The material of claim 1, wherein y is selected from the range of 0.005 to 0.20.

13. The material of claim 2, wherein x is selected from the range of 0.005 to 0.05.

14. The material of claim 1 having a total crystallinity less than or equal to 20 wt. %.

15. The material of claim 1 being characterized by an electronic conductivity less than 4.Math.10.sup.?10 S/cm at 25? C.

16. The material of claim 1 being characterized by an activation energy (Ea) for an ionic conductivity of less than 400 meV when its temperature-dependent ionic conductivity is fit to equation EQ1: $\begin{array}{cc}?=\frac{\text{?}}{T}\text{?};& \left(\mathrm{EQ1}\right)\end{array}$ $\text{?}\text{indicates text missing or illegible when filed}$ wherein: ? is the ionic conductivity; ?.sub.0 is a conductivity prefactor; T is temperature; k.sub.B is the Boltzmann's constant; and E.sub.a is the activation energy for ionic conduction.

17. The material of claim 1, wherein charge carriers of the material are monovalent.

18. A device comprising: a material, the material comprising: a lithium thioborate composition characterized by formula FX4:
Li.sub.3?yBS.sub.3?yG.sub.y(FX4); wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

19. A device comprising: a material, the material comprising: a lithium thioborate composition characterized by formula FX2:
Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein x is a number greater than 0 and less than or equal to 0.10; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

20. The device of claim 18 being an electrochemical cell.

21. The device of claim 20, wherein the electrochemical cell comprises a solid state electrolyte having the material.

22. The device of claim 18 being a rechargeable lithium battery.

23. A solid state electrolyte comprising: a lithium thioborate composition characterized by formula FX4:
Li.sub.3?yBS.sub.3?yG.sub.y(FX4); wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

24. A solid state electrolyte comprising: a lithium thioborate composition characterized by formula FX2:
Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein x is a number greater than 0 and less than or equal to 0.10; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

25. A method of making a material, the method comprising: combining a plurality of precursors comprising lithium, boron, sulfur, and a dopant; and heating the combined plurality of precursors to form the material having a lithium thioborate composition; wherein the lithium thioborate composition is characterized by formula FX4:
Li.sub.3?yBS.sub.3?yG.sub.y(FX4); wherein G is the dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein z is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

26. A method of making a material, the method comprising: combining a plurality of precursors comprising lithium, boron, sulfur, a first dopant, and a second dopant; and heating the combined plurality of precursors to form the material having a lithium thioborate composition; wherein the lithium thioborate composition is characterized by formula FX2:
Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); wherein Q is the first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; wherein G is the second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein x is a number greater than 0 and less than or equal to 0.10; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

Description

BRIEF DESCRIPTION OF THE DRAWINGS

[0008] FIG. 1: Schematic of the semi-supervised machine learning approach. Li-containing structures are aggregated from the ICSD and MP database. Each input structure is simplified and transformed to yield a unique descriptor representation. The descriptor representations are clustered with hierarchical agglomerative clustering. Each cluster is then labeled with experimental ?.sub.25? C. data and the intracluster conductivity variance is calculated. Comparison of the composite intracluster conductivity variance (intracluster conductivity variance summed across all clusters) enables identification of descriptors that are well correlated with ionic conductivity.

[0009] FIG. 2: The composite intracluster conductivity variance (W.sub.?) for the first 50 clusters generated using each descriptor. Half-violin plots show the raw W.sub.? score for each cluster as symbols next to the violin distribution. Simplification-descriptor combinations are sorted in order of ascending mean. The control is a random assignment of clusters, with W.sub.? values averaged over 100 randomly assigned sets. The smooth overlap of atomic positions (SOAP) descriptor outperforms all other descriptors. Although not shown here, SOAP continues to outperform for all depths of clustering through 300.

[0010] FIG. 3: Agglomerative clustering dendrogram for the 2.sup.nd-order SOAP descriptor. The hierarchical clustering representation is shown for the first 241 clusters. An arbitrary variance cutoff is placed such that 9 large clusters are produced to facilitate analysis. The violin plots show the ?.sub.25? C. distribution for the labels within the 9 large clusters. Three outlier clusters are grouped into two additional clusters and are hereafter ignored. The density (per 241 clusters) of low E.sub.a (<0.6 eV) and high conductivity (?.sub.25? C.>10.sup.?5 cm.sup.?1) labels is shown underneath the agglomerative dendrogram. The results illustrate that agglomerative clustering on the 2.sup.nd-order SOAP descriptor results in favorable aggregation of most high-conductivity labels.

[0011] FIG. 4: W.sub.? vs. cluster number for three different SOAP-CAN models compared with the best-performing models for density-CAN, mXRD-A40, orbital field matrix, and structure heterogeneity-A40. The three SOAP-CAN models are those with the lowest W.sub.? mean for the clustering ranges: 2-100, 101-200, and 201-300. Almost all SOAP-CAN models outperformed the best non-SOAP models, irrespective of the specific combination of rcut, nmax, and Imax hyperparameters.

[0012] FIG. 5: The W.sub.Ea for the first 50 clusters generated using each descriptor. Half-violin plots show the raw W.sub.Ea score for each cluster as symbols next to the violin distribution. Simplification-descriptor combinations are sorted in order of ascending mean. The control is a random assignment of clusters, with W.sub.Ea values averaged over 100 randomly assigned sets.

[0013] FIG. 6: The best performing 2.sup.nd order descriptor: SOAP-CAN mixed with the sine Coulomb descriptor. The clustering performance is shown for the full label set of 219. Since the mXRDA40 representation is also compatible with the full label set, it is shown for reference. The 2.sup.nd order descriptor outperforms the 1.sup.st order SOAP-CAN descriptor at most depths of clustering.

[0014] FIG. 7: The partial agglomerative dendrogram generated for the 2.sup.nd-order SOAP-CAN descriptor-simplification. The area shown is the 2.sup.nd mega cluster taken from FIG. 3 of the main text. At a clustering depth of 241, the 21 high-conductivity labels are sorted into 5 clusters which account for 2.2% of the input structures.

[0015] FIG. 8: The 2?2?2 supercell of Li.sub.3VS.sub.4 used for the CI-NEB calculation of Li migration energy. Blue atoms represent the Li position from the CI-NEB output images.

[0016] FIG. 9: The primitive cell of Na.sub.3Li.sub.3Al.sub.2F.sub.12 used for the CI-NEB calculation of Li migration energy. Blue atoms represent the Li position from the CI-NEB output images.

[0017] FIG. 10: The 2?2?2 supercell of Li.sub.2Te used for the CI-NEB calculation of Li migration energy. Blue atoms represent the Li position from the CI-NEB output images.

[0018] FIG. 11: The 2?2?1 supercell of LiAlTe.sub.2 used for the CI-NEB calculation of Li migration energy. Blue atoms represent the Li position from the CI-NEB output images.

[0019] FIG. 12: The 2?2?1 supercell of LiInTe.sub.2 used for the CI-NEB calculation of Li migration energy. Blue atoms represent the Li position from the CI-NEB output images.

[0020] FIG. 13: The 2?2?2 supercell of Li.sub.6MnS.sub.4 used for the CI-NEB calculation of Li migration energy. Blue atoms represent the Li position from the CI-NEB output images.

[0021] FIG. 14: The 2?2?1 supercell of LiGaTe.sub.2 used for the CI-NEB calculation of Li migration energy. Blue atoms represent the Li position from the CI-NEB output images.

[0022] FIG. 15: The 2?1?2 supercell of Li.sub.3BS.sub.3 used for the CI-NEB calculation of Li migration energy. Blue, green, and orange atoms represent the Li position from the CI-NEB output images.

[0023] FIG. 16: The 2?2?2 supercell of KLi.sub.6TaO.sub.6 used for the CI-NEB calculation of Li migration energy. Blue and orange atoms represent the Li position from the CI-NEB output images.

[0024] FIG. 17: The 2?1?2 supercell of Li.sub.3CuS.sub.2 used for the CI-NEB calculation of Li migration energy. Blue atoms represent the Li position from the CI-NEB output images.

[0025] FIG. 18: Nyquist data for a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 near room temperature. The partially resolved semi-circular features suggests the presence of at least two RC circuit elements.

[0026] FIG. 19: The 31 promising structures that are predicted to be stable and to exhibit Li-hopping activation energy below 600 meV.

[0027] FIG. 20A: Explored for use as both an anode.sup.340 and a cathode.sup.341. NEB has been employed to predict an activation energy of 95 meV..sup.342 All Li occupies tetrahedral sites that are edge sharing with adjacent V tetrahedra.

[0028] FIG. 20B: The structure appears to be unexplored. Discussion of structural motifs by Geller et al..sup.343 All Li atoms are in a tetrahedral bonding environment.

[0029] FIG. 20C: A screening approach using bond valence site energy calculations identified the oxide as a promising structure: Li.sub.2Te.sub.2O.sub.5..sup.344 All Li are in tetrahedral bonding environment.

[0030] FIG. 20D: All Li are in a tetrahedral environment with corner sharing. The structure hasn't been examined as an ionic conductorongoing research is focused on optoelectronic properties..sup.345

[0031] FIG. 20E: All Li are in a tetrahedral environment with corner sharing. The structure hasn't been examined as an ionic conductorongoing research is focused on optoelectronic properties..sup.346

[0032] FIG. 20F: All Li are in an edge-sharing tetrahedral bonding environment. Augustine et al. posit that the structure could be a viable cathode material. They performed ab-initio calculations to measure the enthalpy of formation and have concluded that the structure should be stable..sup.347

[0033] FIG. 20G: All Li are in a tetrahedral environment with corner sharing. The structure hasn't been examined as an ionic conductorongoing research is focused on optoelectronic properties..sup.348 Isaenko et al. report an experimental band gap of 2.41 eV.

[0034] FIG. 20H: All Li are in a tetrahedral bonding environment. Recent NEB work suggests an activation barrier of 250 meV..sup.349

[0035] FIG. 20I: All Li are in a tetrahedral bonding environment with edge or corner sharing. Recent electrochemical characterization by Suzuki et al. found an ionic conductivity near 10.sup.?5 S cm.sup.?1 with aliovalent substitution of Sn..sup.350

[0036] FIG. 20J: All Li are in an edge-sharing tetrahedral bonding environment. Explored for use as a cathode by Kawasaki et al. in 2021..sup.351 They found an initial charge-discharge capacity of 380 mAh g.sup.?1 with average voltage of 2.1 V vs. L/Li.sup.+.

[0037] FIG. 20K: All Li are in an edge-sharing tetrahedral bonding environment. Never explored for battery purposes. Synthesis by Huang et al..sup.352

[0038] FIG. 20L: All Li sits in four- and five-coordinate environments. Kahle et al. previously screened ?1400 Li-containing compounds and identified Li.sub.4Re.sub.6S.sub.11 as a potentially promising SSE using molecular dynamics simulation..sup.353 Their simulations failed to resolve RT diffusion but found promising diffusivity at elevated temperatures.

[0039] FIG. 20M: All Li are in a tetrahedral bonding environment.

[0040] FIG. 20N: All Li are in an octahedral bonding environment. Muy et al. identify Li.sub.3ErBr.sub.6 as one of eighteen promising compounds using a phonon-band descriptor approach..sup.354 They synthesize the Cl analogue and report an experimental conductivity of 0.05-0.3 mS cm.sup.?1. The material also mentioned briefly in perspective by Li et al..sup.355

[0041] FIG. 20O: All Li are in a tetrahedral bonding environment.

[0042] FIG. 20P: All Li are in a tetrahedral bonding environment. Sendek et al. identified Li.sub.2HIO as promising using a combined ML and DFT approach..sup.356 They predicted a RT diffusion barrier of 350 meV.

[0043] FIG. 20Q: All Li are in an edge-sharing tetrahedral bonding environment. Synthesis via Huang et al..sup.352

[0044] FIG. 20R: Li ions are in a distorted octahedral and some 5-coordinate bonding environments.

[0045] FIG. 20S: All Li are in an octahedral bonding environment. Mentioned briefly in perspective by Li et al..sup.355

[0046] FIG. 20T: All Li are in an octahedral bonding environment. Discussed briefly in perspective by Li et al..sup.355 Predicted by Kahle et al. to be a fast ionic conductor using molecular dynamics simulations..sup.353 They predict an activation energy of 350 meV.

[0047] FIG. 20U: All Li are in a tetrahedral bonding environments.

[0048] FIG. 20V: All Li are in a three coordinate bonding environment.

[0049] FIG. 20W: All Li are in a tetrahedral bonding environment. Optical properties and air-stability have been briefly discussed by Kim et al..sup.357

[0050] FIG. 20X: All Li are in an edge-sharing tetrahedral bonding environment. Synthetic accounts appear to exist in some books.

[0051] FIG. 20Y: Li are all in an edge-sharing tetrahedral bonding environment. Wang et al. predicted that this might be a high-conductivity structure by using a structure matching algodithm..sup.358

[0052] FIG. 20Z: All Li are in a 5-coordinate bonding environment. A hydrothermal synthetic method has been described by Li et al..sup.359

[0053] FIG. 20AA: All Li are in 3-coordinate or 2-coordinate bonding environments. Identified by Snydacker et al. as a suitable coating for Li anode passivation via convex hull calculations..sup.360

[0054] FIG. 20AB: All Li are in octahedral or tetrahedral bonding environments. The tetrahedra sit between the octahedral layers. Amorphous Li.sub.4TiS.sub.4 is thought to form upon discharge of TiS.sub.4-based cathodes..sup.361

[0055] FIG. 20AC: All Li are in a tetrahedral bonding environment. Wang et al. predicted that LiGaS.sub.2 might be a high-conductivity structure by using a structure matching algorithm..sup.358 Separately, He et al. used ab initio calculation to predict the same..sup.362

[0056] FIG. 20AD: All Li are in a corner-sharing tetrahedral bonding environments.

[0057] FIG. 20AE: Li are mostly in tetrahedral bonding environments, although some 5-coordinate environments exist. Kahle et al. identified Li.sub.10B.sub.14Cl.sub.2O.sub.2s as a potentially promising SSE material using a pinball model..sup.353

[0058] FIG. 21: The 21 promising structures that are predicted to be within 15 meV of E.sub.hull and to exhibit Li-hopping activation energy below 600 meV.

[0059] FIG. 22A: Li are in 8-coordinate sites surrounded by oxygens.

[0060] FIG. 22B: All Li are in tetrahedral bonding environmentscorner sharing with Zn and P tetrahedra. Richard's et al. used NEB to predict that Li.sub.10Zn.sub.7P.sub.8S.sub.32 has a 252 meV activation energy for Li diffusion..sup.363 They also predict a RT conductivity of 3.44 mS cm.sup.?1.

[0061] FIG. 22C: All Li are in tetrahedral bonding environmentscorner sharing with Zn and P tetrahedra. Richard's et al. used NEB to predict that Li.sub.6Zn.sub.3P.sub.4S.sub.16 has a 181 meV activation energy for Li diffusion..sup.363 They also predict a RT conductivity of 27.7 mS cm.sup.?1.

[0062] FIG. 22D: All Li are in tetrahedral bonding environments.

[0063] FIG. 22E: All Li are in tetrahedral bonding environments.

[0064] FIG. 22F: All Li are in tetrahedral bonding environment.

[0065] FIG. 22G: Octahedral Li layers with Li tetrahedra interspersed between.

[0066] FIG. 22H: All Li are in tetrahedral bonding environments.

[0067] FIG. 221: All Li are in edge-sharing tetrahedral bonding environments. Previously examined as a cathode material by Chen et al..sup.364

[0068] FIG. 22J: All Li are in tetrahedral bonding environments.

[0069] FIG. 22K: All Li are in tetrahedral bonding environments.

[0070] FIG. 22L: All Li are in tetrahedral bonding environments.

[0071] FIG. 22M: All Li are in tetrahedral bonding environments. Devlin et al. have previously published a synthetic method for Li.sub.2MnSnS.sub.4..sup.365

[0072] FIG. 22N: All Li are in edge-sharing tetrahedral bonding environments.

[0073] FIG. 22O: All Li are in edge-sharing octahedral bonding environments. A synthetic method has been published by Steiner et al..sup.366

[0074] FIG. 22P: All Li are in tetrahedral bonding environments.

[0075] FIG. 22Q: All Li are in corner-sharing tetrahedral bonding environments. Li.sub.1OSi.sub.3P.sub.3S.sub.23Cl was theoretically studied by Rao et al..sup.367 They used it is a model system for a neural-network molecular dynamics pipeline.

[0076] FIG. 22R: All Li are in tetrahedral or octahedral bonding environments.

[0077] FIG. 22S: All Li are in octahedral bonding environments. Muy et al. examined LiSnCl.sub.3 using a phonon-band descriptor approach..sup.354 Despite a promising band-center value, they suggest it has a low stability window. K?rbel et al. identify it as a promising piezoelectric material..sup.368

[0078] FIG. 22T: All Li are in tetrahedral bonding environments.

[0079] FIG. 22U: All Li are in distorted tetrahedral bonding environments.

[0080] FIG. 23: The six promising structures that lack Materials Project data but are predicted to exhibit Li-hopping activation energy below 600 meV.

[0081] FIG. 24A: All Li are in tetrahedral bonding environments. Synthetic method by Pr?mper et al..sup.369

[0082] FIG. 24B: All Li are in 5-coordinate bonding environments. Previously studied by Abdel-Khalek et al. in a glass ceramic..sup.370 Discussed in some detail by Rousse et al..sup.371

[0083] FIG. 24C: All Li are in octahedral bonding environments.

[0084] FIG. 24D: All Li are in tetrahedral bonding environments. Synthetic method by Branford et al..sup.372

[0085] FIG. 24E: All Li are in tetrahedral bonding environments. A melt flux synthesis has been developed by Li et althey examined the material for second-harmonic generation response..sup.373

[0086] FIG. 24F: Most Li are in tetrahedral bonding environments, with some partial substitution onto the octahedral Ti sites.

[0087] FIG. 25: Steady-state current of Au/a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3/Au cell for different voltage polarizations. Measurements were done at 25? C. with applied voltages of 0.125 V, 0.25 V, 0.375 V, 0.5 V and 1.0 V.

[0088] FIGS. 26A-26G: Characterization of Li.sub.3BS.sub.3 with vacancy engineering. FIG. 26A: XRD patterns for Li.sub.3BS.sub.3, 2.5% Si substituted Li.sub.3BS.sub.3 (Li.sub.2.975B.sub.0.975Si.sub.0.025S.sub.3), 5% Si substituted Li.sub.3BS.sub.3 (Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3), and amorphized 5% Si substituted Li.sub.3BS.sub.3 (a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3). No impurities are observed in any pattern. FIG. 26B: Arrhenius fits for Li.sub.3BS.sub.3. FIG. 26C: Lattice parameter comparison for Li.sub.3BS.sub.3, Li.sub.2.975B.sub.0.975Si.sub.0.025S.sub.3, and Li.sub.2.95B.sub.0.95B.sub.0.05S.sub.3. FIG. 26D: Arrhenius fits for Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, and a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3. FIG. 26E: Electrochemical impedance spectroscopy for the a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 at various temperatures. FIG. 26F: .sup.7Li NMR and (FIG. 26G).sup.11B NMR of the Li.sub.3BS.sub.3, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, and a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3. Results show that combined aliovalent substitution and amorphization can improve the ionic conductivity of Li.sub.3BS.sub.3 by over four orders of magnitude.

[0089] FIGS. 27A-27B: Experimentally measured (FIG. 27A) powder X-ray diffraction patterns and (FIG. 27B) Raman spectra of Li.sub.3?xBS.sub.3?xCl.sub.x compositions (0?x?0.4). Downward arrows indicate the presence of LiCl impurity.

[0090] FIG. 28: Experimentally measured powder X-ray diffraction patterns of Li.sub.3?x?yB.sub.1?ySi.sub.yS.sub.3?xCl.sub.x.

[0091] FIGS. 29A-29B: Experimentally obtained (FIG. 29A) Arrhenius plots and (FIG. 29B) room-temperature ionic conductivity values and activation energies for Li.sub.3?xBS.sub.3?xCl.sub.x, plotted from electrochemical impedance spectroscopy data.

[0092] FIG. 30: Experimentally obtained room-temperature ionic conductivity values and activation energies for Li.sub.3?x?yB.sub.1?ySi.sub.yS.sub.3?xCl.sub.x, plotted from electrochemical impedance spectroscopy data.

[0093] FIG. 31: Arrhenius plots, room-temperature ionic conductivity values and activation energies for a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, and Li.sub.3BS.sub.3.

[0094] FIG. 32A: Arrhenius plots and room-temperature ionic conductivity values for Li.sub.2.9B.sub.0.95Si.sub.0.05S.sub.2.95Cl.sub.0.05, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.95BS.sub.2.95Cl.sub.0.05, and Li.sub.3BS.sub.3.

[0095] FIG. 32B shows Arrhenius plots and room-temperature ionic conductivity values for Li.sub.3BS.sub.3, Li.sub.2.95 B.sub.0.95 Si.sub.0.05 S.sub.3, a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.95BS.sub.2.95Cl.sub.0.05 and Li.sub.2.9BS.sub.2.9Cl.sub.0.1.

[0096] FIG. 33: Room-temperature ionic conductivity values and activation energies for Li.sub.3BS.sub.3, Li.sub.2.95BS.sub.2.95Cl.sub.0.05, Li.sub.2.9BS.sub.2.9Cl.sub.0.1, Li.sub.2.8BS.sub.2.8Cl.sub.0.2, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, and Li.sub.2.9B.sub.0.95Si.sub.0.05S.sub.2.95Cl.sub.0.05.

[0097] FIG. 34: Room-temperature ionic conductivity values for Li.sub.3BS.sub.3, Li.sub.2.95BS.sub.2.95Cl.sub.0.05, Li.sub.2.9BS.sub.2.9Cl.sub.0.1, Li.sub.2.8BS.sub.2.8Cl.sub.0.2, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.9B.sub.0.95Si.sub.0.05S.sub.2.95Cl.sub.0.05, a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.85B.sub.0.85Si.sub.0.15S.sub.3, Li.sub.2.85B.sub.0.9Si.sub.0.1S.sub.2.95Cl.sub.0.05, and Li.sub.2.6BS.sub.2.6Cl.sub.0.4.

[0098] FIG. 35: provides XRD patterns for Li.sub.3BS.sub.3, Li.sub.2.95 BS.sub.2.95 Cl.sub.0.05 and Li.sub.2.9BS.sub.2.9Cl.sub.0.1. The patterns do not appear to show any impurities.

STATEMENTS REGARDING CHEMICAL COMPOUNDS AND NOMENCLATURE

[0099] In general, the terms and phrases used herein have their art-recognized meaning, which can be found by reference to standard texts, journal references and contexts known to those skilled in the art. The following definitions are provided to clarify their specific use in the context of the invention.

[0100] The term dopant is used herein broadly to refer to one or more elements intentionally provided in a material's composition to improve or enhance one or more properties or functionalities of the resulting doped material to compared to the undoped reference form of the material, which is typically intrinsic and stoichiometric. A doped composition is optionally referred to as an extrinsic composition, whereas the undoped composition is optionally referred to as the intrinsic or reference composition. As used herein, the term dopant is used broadly to include low concentration impurities or low concentration additive element(s), such that providing said dopant may be referred to as doping and/or alloying as these terms are known in the art. As used herein, a dopant is a substitute for another or principal element, where the dopant replaces or substitutes for a portion of the amount or concentration of the principal element relative to the amount or concentration the principal element in the undoped composition. For clarity and as a convenient handle, each element of a reference undoped composition may be referred to as a principal element. Generally, a principal element is an element identified (or which would be identified by one of skill in a relevant art) in a chemical formula of a composition and is exclusive of impurity elements present in the composition at less than 0.05 at. %, less than 0.05 mol. %, and/or less than 0.05 wt. % (optionally less than 0.04 at. %, less than 0.04 mol. %, and/or less than 0.04 wt. %; optionally less than 0.03 at. %, less than 0.03 mol. %, and/or less than 0.03 wt. %; optionally less than 0.02 at. %, less than 0.02 mol. %, and/or less than 0.02 wt. %; optionally less than 0.01 at. %, less than 0.01 mol. %, and/or less than 0.01 wt. %). Therefore, for example: Li, B, and S are principal elements of the composition Li.sub.3BS.sub.3; Li, V, and S are the principal elements of the composition Li.sub.3VS.sub.4; Na, Li, Al, and F are the principal elements of the composition Na.sub.3Li.sub.3Al.sub.2F.sub.12; Li and Te are the principal elements of the composition Li.sub.2Te; Li, Al, and Te are the principal elements of the composition LiAlTe.sub.2; Li, In, and Te are the principal elements of the composition LiInTe.sub.2; Li, Mn, and S are the principal elements of the composition Li.sub.6MnS.sub.4; Li, Ga, and Te are the principal elements of the composition LiGaTe.sub.2; K, Li, Ta, and O are the principal elements of the composition KLi.sub.6TaO.sub.6; Li, Cu, and S are the principal elements of the composition Li.sub.3CuS.sub.2; etc. Generally, materials disclosed herein comprise one or more dopants that are substitutes for one or more principal elements (optionally, non-Li principal elements) of a composition (i.e., a principal element other than Li of a composition, such as any of those listed in the prior sentence; e.g., a dopant may be a substitute for B or S in Li.sub.3BS.sub.3, where the B and S are principal elements (optionally, non-Li principal elements) of the composition Li.sub.3BS.sub.3). As used herein, a dopant is optionally one element being substitute for a principal element of a composition (e.g., Si being a dopant for B in Li.sub.3BS.sub.3). As used herein, a dopant is optionally two elements being substitutes for a principal element of a composition (e.g., Si and Ge together being a dopant for B in Li.sub.3BS.sub.3). As used herein, a dopant is optionally three or more elements being substitutes for a principal element of a composition. Herein, the terms doped and substituted are generally used interchangeably when referring to a material or composition having one or more dopants, as disclosed herein, substituting one or more principal elements, such as one or more principal elements (optionally, non-Li principal elements). A doped composition may have one dopant or more than one dopants. For example, a doped composition may have a first dopant (or, first type of dopant) being a dopant or substitute for a first principal element (optionally, a non-Li principal element) of a composition (e.g., B of Li.sub.3BS.sub.3) and the same doped composition may have a second dopant (or, second type of dopant) being a dopant or substitute for a second principal element (optionally, a non-Li principal element) of a composition (e.g., S of Li.sub.3BS.sub.3). As used herein, a dopant element may be present in the structure of the doped composition substitutionally (as a substitutional dopant element), interstitially (as an interstitial dopant element), or both substitutionally and interstitially. As used herein, a dopant element is preferably aliovalent with respect to the principal element it replaces or for which it is a substitute. For example, a dopant element for B (e.g., in Li.sub.3BS.sub.3) is preferably aliovalent with respect to B, such that said dopant element is a member of an element Group other than Group 13 of the Periodic Table of Elements (e.g., Si, being a member of Group 14). For example, a dopant element for S (e.g., in Li.sub.3BS.sub.3) is preferably aliovalent with respect to S, such that said dopant element is a member of an element Group other than Group 16 of the Periodic Table of Elements (e.g., Cl, being a member of Group 17). In some aspects, the material or composition thereof having the one or more dopants is characterized as a solid solution. In some aspects, the introduction of one or more dopants to a material or composition thereof obeys Vegard's law where the one or more dopants incorporate into the material's lattice or structure as a solid solution.

[0101] The term amorphizing refers to a process that reduces grain sizes (average, median, and/or bounds of a 95% confidence interval) of a material (or composition thereof), reduces crystallite sizes (average, median, and/or bounds of a 95% confidence interval) of a material (or composition thereof), increasing amorphous content of a material (or composition thereof), decreasing total crystallinity of a material (or composition thereof), and/or increasing an amount or concentration of defects in a material (or composition thereof). A defect generally refers to a crystallographic defect. As recognized by those skilled in the relevant art such as materials science or crystallography in particular, a defect may be a point defect, a line defect, a planar defect, and/or a bulk defect. A vacancy (or, vacancy defect), such as a vacancy of a principal element such as B in Li.sub.3BS.sub.3, is an example of a defect. A broken or dangling bond, which is optionally but not necessarily a result of a vacancy defect, is another example of a defect. Generally, but not necessarily, amorphizing refers to a process performed on a material after said material is formed or made. Thus, generally but not necessarily, amorphizing does not refer to the process of doping or making a doped composition (although doping may introduce defects such as interstitial defects), but rather to a separate or subsequent processing step performed on a material that has been formed. An example of an amorphizing process is ball milling, or any similar processes. In some aspects, the term amorphizing refers to a process that necessarily increases amorphous content of a material (or composition thereof) and decreases total crystallinity of the material (or composition thereof), while also optionally reducing grain sizes (average, median, and/or bounds of a 95% confidence interval) of the material (or composition thereof), optionally reducing crystallite sizes (average, median, and/or bounds of a 95% confidence interval) of the material (or composition thereof), and/or optionally increasing an amount or concentration of defects in the material (or composition thereof).

[0102] The term ionic conductivity is intended to be consistent with the term as it is readily known by one skilled in relevant arts, particularly in the art of semiconductors and/or solid state electrolytes, and refers the property of ionic conductivity as it would relate to the performance of a material or composition thereof as an ionically conductive solid state electrolyte in an electrochemical cell such as a battery. In some aspects, ionic conductivity particularly refers to ionic conductivity of Li.sup.+ ions in a material or a composition thereof. As used herein, unless explicitly otherwise stated, ionic conductivity of a material (or composition thereof) refers to ionic conductivity within or through the material, such as through a thickness or lateral dimension of the material (e.g., through the thickness of a thin film), instead of a surface ionic conductivity along a film's surface longitudinally. Unless otherwise explicitly stated, the term ionic conductivity refers to a combination of grain boundary transport of ions and bulk ionic conductivity. Preferably, but not necessarily, an ionic conductivity claimed herein is an average ionic conductivity, being an average of at least three repeated measurements. Further to the descriptions in Examples 1A-3 provided herein, useful techniques, assumptions, parameters, calculations, etc., for measuring ionic conductivity in materials disclosed herein is found in P. Vadhva, et al. (Electrochemical Impedance Spectroscopy for All-Solid-State Batteries: Theory, Methods and Future Outlook, first published in ChemElectroChem; Volume 8; Issue 11; 2021; Pages 1930-1947; DOI: 10.1002/celc.202100108), which is incorporated herein in its entirety.

[0103] The term electronic conductivity is intended to be consistent with the term as it is readily known by one skilled in relevant arts, particularly in the art of semiconductors and/or solid state electrolytes, and refers the property of electronic conductivity (conductivity or transport of electrons) as it would relate to the performance of a material or composition thereof as an ionically conductive (and preferably electronically insulating) solid state electrolyte in an electrochemical cell such as a battery. For clarity, electronic conductivity does not refer to nor include ionic conductivity. As used herein, unless explicitly otherwise stated, electronic conductivity of a material (or composition thereof) refers to electronic conductivity within or through the material, such as through a thickness or lateral dimension of the material (e.g., through the thickness of a thin film), instead of a surface electronic conductivity along a film's surface longitudinally. Unless otherwise explicitly stated, the term electronic conductivity may be inclusive of any and all possible mechanisms of electronic transport (i.e., transport/conductivity of electrons; e.g., including Poole-Frenkel emission, hopping conduction, ohmic conduction, space-charge-limited conduction, and/or grain-boundary-limited conduction). Further to the descriptions in Examples 1A-3 provided herein, useful techniques, assumptions, parameters, calculations, etc., for measuring electronic conductivity in materials disclosed herein is found in P. Vadhva, et al. (Electrochemical Impedance Spectroscopy for All-Solid-State Batteries: Theory, Methods and Future Outlook, published in ChemElectroChem; Volume 8; Issue 11; 2021; Pages 1930-1947; DOI: 10.1002/celc.202100108), which is incorporated herein in its entirety.

[0104] The term electrochemical cell refers to devices and/or device components that convert chemical energy into electrical energy or electrical energy into chemical energy. Electrochemical cells have two or more electrodes (e.g., positive and negative electrodes) and one or more electrolytes. For example, an electrolyte may be a fluid electrolyte or a solid electrolyte. In aspects disclosed herein, electrochemical cells comprise at least one solid state electrolyte (optionally but not necessarily also having a fluid electrolyte), the solid state electrolyte comprising a material or composition disclosed herein. The solid state electrolyte is an ionically conductive (e.g., for Li.sup.+ ions), and preferably electronically insulating to prevent electrical/electronic shorting between oppositely-charged electrodes within the electrochemical cell or battery. Reactions occurring at the electrode, such as sorption and desorption of a chemical species or such as an oxidation or reduction reaction, contribute to charge transfer processes in the electrochemical cell. Electrochemical cells include, but are not limited to, primary (non-rechargeable) batteries and secondary (rechargeable) batteries. In certain aspects, the term electrochemical cell includes metal hydride batteries, metal-air batteries, fuel cells, supercapacitors, capacitors, flow batteries, solid-state batteries, and catalysis or electrocatalytic cells (e.g., those utilizing an alkaline aqueous electrolyte). In some aspects, an electrochemical cell is a Li-ion or Li-ion based battery.

[0105] The term gravimetric capacity, consistent with the term as used in the art, particularly in the art of battery devices and electrochemistry, refers to amount of charge that can be stored per unit mass. The units are typically mAh/g or C/g. Generally, in the art, gravimetric capacity is normalized by the mass of active material in a cathode or anode, with the balance-of-plant ignored (carbon, binder, etc.) to allow for comparison between active materials. With respect to a battery, the capacity of the battery is normalized to the entire cell which includes all the inactive components like carbons, the current collectors, electrolyte, etc. Solid state electrolytes are normally reported as a way to enable Li metal anodes, which have a much higher gravimetric capacity than commercialized graphite anodes. For example, even though solid-state electrolytes are heavier/denser than liquid electrolytes, a solid-state battery could have higher capacity if the solid-state electrolyte is paired with a Li metal anode.

[0106] The term stability, as used herein in reference to a solid state electrolyte or a material, or composition thereof, that is a candidate solid state electrolyte generally refers to chemical and electrochemical stability (thermodynamic and kinetic) of the electrolyte or material, or composition thereof, with respect to reduction by a Li metal anode at voltages relevant to the operation of a battery having said electrolyte or material. Further to the descriptions in Examples 1A-3 provided herein, useful background, description, techniques, assumptions, parameters, calculations, etc., for determining stability of solid state electrolytes and materials that are candidate solid state electrolytes is found in H. Park, et al. (Predicting Charge Transfer Stability between Sulfide Solid Electrolytes and Li Metal Anodes, ACS Energy Lett. 2021, 6, 1, 150-157; DOI: 10.1021/acsenergylett.0c02372), which is incorporated herein in its entirety.

[0107] As used herein, total crystallinity refers to the sum of the wt. % of all crystal phases present in the material or a composition thereof. Optionally in any aspect disclosed herein, a material disclosed herein is characterized by a total crystallinity equal to or less than about 25% by weight (wt. %), optionally equal to or less than about 20 wt. %, optionally equal to or less than about 15 wt. %, optionally equal to or less than about 10 wt. %, optionally equal to or less than about 8 wt. %, optionally equal to or less than about 5 wt. %, optionally equal to or less than about 4 wt. %, optionally equal to or less than about 3 wt. %, optionally equal to or less than about 2 wt. %, optionally equal to or less than about 1 wt. %, optionally equal to or less than about 0.8 wt. %, optionally equal to or less than about 0.5 wt. %, optionally equal to or less than about 0.2 wt. %, optionally equal to or less than about 0.1 wt. %, optionally equal to or less than about 0.08 wt. %, optionally equal to or less than about 0.05 wt. %, optionally equal to or less than about 0.01 wt. %. The total crystallinity of a material or composition thereof can be determined through Rietveld quantitative analysis of X-ray diffraction (XRD) data measured from the material or a representative sample thereof. For example, the XRD may be measured using a sheet, film, pellet, powder, or such, of the material, for example. Optionally, XRD data is collected using a powder x-ray diffraction technique with a scan from 5 to 80 degrees, unless otherwise specified. For example, the Rietveld quantitative analysis method may employ a least squares method to model the XRD data and then determine the concentration of crystal phase(s) in the sample based on known lattice(s) and scale factor(s)s for the identified phase(s). However, it is understood that different methods and instrumentation for determining total crystallinity can also be employed.

[0108] In an embodiment, a composition or compound of the invention, such as an alloy or precursor to an alloy, is isolated or substantially purified. In an embodiment, an isolated or purified compound is at least partially isolated or substantially purified as would be understood in the art. In an embodiment, a substantially purified composition, compound or formulation of the invention has a chemical purity of 95%, optionally for some applications 99%, optionally for some applications 99.9%, optionally for some applications 99.99%, and optionally for some applications 99.999% pure.

DETAILED DESCRIPTION OF THE INVENTION

[0109] In the following description, numerous specific details of the devices, device components and methods of the present invention are set forth in order to provide a thorough explanation of the precise nature of the invention. It will be apparent, however, to those of skill in the art that the invention can be practiced without these specific details.

[0110] The Li-ion all-solid-state battery (ASSB) is a promising template for next-generation energy storage. To commercialize Li-ion ASSBs, a suitable solid-state electrolyte is required. A solid-state electrolyte must exhibit a wide electrochemical stability window and ionic conductivity near that of traditional liquid electrolytes. Three compounds with near-liquid-electrolyte conductivity (?10.sup.?2 S cm.sup.?1) have been discovered: Li.sub.10GeP.sub.2S.sub.12 (LGPS), Li.sub.6PS.sub.5Br argyrodite, and a Li.sub.7P.sub.3S.sub.11 glass ceramic. All three discovered electrolytes exhibit electrochemical instability against the Li anode, limiting application in commercial products. Li.sub.3BS.sub.3 is predicted to have a wide electrochemical stability window, sufficient for resisting electron injection from the Li anode..sup.1 However, the ionic conductivity of pure or intrinsic Li.sub.3BS.sub.3 is prohibitively low (10.sup.?7-10.sup.?6 S cm.sup.?1).

[0111] In aspects herein, we present a method to significantly enhance the ionic conductivity of materials such as Li.sub.3BS.sub.3, which are candidates for solid state lithium ion conductivity electrolytes, through incorporation of Si and subsequent amorphization. Also disclosed here are ionically conductive materials, such as doped or substituted Li.sub.3BS.sub.3. For example, by substituting up to 5%, for example, of the B sites with Si, Li.sub.3?xB.sub.1-xSi.sub.xS.sub.3 achieves an ionic conductivity surpassing 10.sup.?5 S cm.sup.?1 at room temperature. When the doped product is further amorphized, for example through continuous ball milling, the ionic conductivity is further enhanced to above 10.sup.?3 S cm.sup.?1 at room temperature.

[0112] Pure or intrinsic Li.sub.3BS.sub.3 has been studied and characterized in the past. The pure structure exhibits an ionic conductivity in the range of 10.sup.?7-10.sup.?6 S cm.sup.?1, which is unfavorably low for the material to be useful as a solid state lithium ion conductor. Ionic conductivity of pure/intrinsic Li.sub.3BS.sub.3 can be enhanced via extended ball milling to near 10.sup.?4 S cm.sup.?1..sup.2 aspects disclosed herein include materials and associated methods demonstrating further significant enhancement in ionic conductivity of materials that are candidates for solid state lithium ion conductors (e.g., for use in a solid state electrolyte), such as Li.sub.3BS.sub.3.

[0113] In aspects, substitution of a principal element such as B, S, or both B and S in Li.sub.3BS.sub.3 with an aliovalent dopant element also reduces the amount of Li in the composition relative to the undoped composition. For example, in aspects, the relative amount of Li is reduced according to formula FX2: Li.sub.3?x?yB.sub.1?x[Q].sub.xS.sub.3?y[G].sub.y, where Q (first dopant) is one or more (first) dopant elements aliovalent with respect to B, G (second dopant) is one or more (second) dopant elements each aliovalent with respect to S, x is a number (e.g., selected from range of 0.005 to 0.20) corresponding to the relative amount of substitution of B, and y is a number (e.g., selected from range of 0.005 to 0.20) corresponding to the relative amount of substitution of S. Generally, this reduction in Li occurs to maintain overall charge neutrality of the structure assuming formal oxidation states.

[0114] For example, aliovalent substitution of Si into the Li.sub.3BS.sub.3 lattice may introduce vacancies which can act as charge carrying defects. Aliovalent substitution for 5% of the B, for example, results in Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.6 which exhibits a room temperature ionic conductivity of 1.82.Math.10.sup.?5 S cm.sup.?1. In aspects, extended amorphization of the Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 further improves the ionic conductivity to between 1.Math.10.sup.?3 and 3.Math.10.sup.?3 S cm.sup.?1. Thus, through aliovalent substitution and amorphization, in aspects, the ionic conductivity of Li.sub.3BS.sub.3 is improved to near that of conventional liquid electrolytes.

[0115] In aspects, doped materials and compositions thereof disclosed herein, such as amorphous Li.sub.2.95B.sub.0.95Si.sub.0.055S (a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3), offer many unique advantages over most solid-state electrolyte candidates. The synthesis occurs at a relatively low temperature (?800? C.) and pelletization can occur at room temperature. In some aspects, unlike most oxide candidates, doped materials and compositions thereof disclosed herein, such as a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, exhibit superb inter-grain conductivity without the need for a high-temperature grain-boundary sintering step. The precursor materials are also relatively inexpensive. For example, in comparing to LGPS, the a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 swaps Ge (?$2400/kg) and P (?$5/kg) for B (?200/kg) and Si ($1/kg). Additionally, all four constituent elements have a low atomic mass, which is conducive to making ASSBs with high gravimetric capacity.

[0116] In some aspects, materials disclosed herein may be useful in a variety of aspects and applications beyond solid-state electrolytes. For example, the doped or substituted materials and compositions thereof disclosed herein, such as Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, may be employed as an artificial interphase on the Li anode surface. In such an application, doped materials and compositions thereof, such as Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, may facilitate ionic conduction while preventing the Li anode from reducing an adjacent SSE.

[0117] In some aspects, materials disclosed herein may also be employed as an additive for electrodes. In some aspects, materials disclosed herein may also be employed in glass electrolyte mixtures. In such applications, for example, doped materials and compositions thereof, such as Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, may serve either or both of the following roles: (1) improving electrochemical stability of the electrode/electrolyte and (2) improving ionic conductivity of the electrode/electrolyte.

[0118] In aspects herein, we present first materials comprising: a lithium trioborate composition characterized by formula FX4: Li.sub.3?yBS.sub.3?yG.sub.y (FX4); wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

[0119] In aspects herein, we present second materials comprising: a lithium thioborate composition characterized by formula FX2: Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y (FX2); wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein x is a number greater than 0 and less than or equal to 0.10; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

[0120] Aspects disclosed herein include first devices comprising: a material, the material comprising: a lithium thioborate composition characterized by formula FX4: Li.sub.3?zB.sub.1S.sub.3?yG.sub.y (FX4); wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

[0121] Aspects disclosed herein include second devices comprising: a material, the material comprising: a lithium thioborate composition characterized by formula FX2: Li.sub.3?zB.sub.1?xQ.sub.xS.sub.3?yG.sub.y (FX2); wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein x is a number greater than 0 and less than or equal to 0.10; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

[0122] In one embodiment of the first or second devices, the device is an electrochemical cell. In some embodiments, the electrochemical cell comprises a solid state electrolyte having the material.

[0123] In one embodiment of the first or second devices, the device is a rechargeable lithium battery.

[0124] Aspects disclosed herein include solid state electrolytes comprising: a lithium thioborate composition characterized by formula FX4: Li.sub.3?zB.sub.1S.sub.3?yG.sub.y (FX4); wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

[0125] Aspects disclosed herein include solid state electrolytes comprising: a lithium thioborate composition characterized by formula FX2: Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y (FX2); wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein x is a number greater than 0 and less than or equal to 0.10; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

[0126] Aspects disclosed herein include methods of making a material, the method comprising: combining a plurality of precursors comprising lithium, boron, sulfur, and a dopant; and heating the combined plurality of precursors to form the material having a lithium thioborate composition; wherein the lithium thioborate composition is characterized by formula FX4: Li.sub.3?zB.sub.1S.sub.3?yG.sub.y (FX4); wherein G is the dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein z is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

[0127] Aspects disclosed herein include methods of making a material, the method comprising: combining a plurality of precursors comprising lithium, boron, sulfur, a first dopant, and a second dopant; and heating the combined plurality of precursors to form the material having a lithium thioborate composition; wherein the lithium thioborate composition is characterized by formula FX2: Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y (FX2); wherein Q is the first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; wherein G is the second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; wherein x is a number greater than 0 and less than or equal to 0.10; wherein y is a number greater than 0 and less than or equal to 0.40; and wherein G is one or more Group 17 (halogen) elements.

[0128] References cited above: [0129] 1. Park, H., Yu, S. & Siegel, D. J. Predicting Charge Transfer Stability between Sulfide Solid Electrolytes and Li Metal Anodes. ACS Energy Lett. 6, 150-157 (2021). [0130] 2. Kimura, T. et al. Characteristics of a Li.sub.3BS.sub.3 Thioborate Glass Electrolyte Obtained via a Mechanochemical Process. ACS Appl. Energy Mater. 5, 1421-1426 (2022).

[0131] The substituted or doped compositions disclosed herein generally have a low concentration or a low relative amount of one or more dopants. Preferably, a total dopant concentration (concentration of the one or more dopants in a composition) in a material or composition thereof is less than or equal to 30 at. %, optionally less than or equal to 28 at. %, optionally less than or equal to 25 at. %, optionally less than or equal to 22 at. %, optionally less than or equal to 21 at. %, optionally less than or equal to 20 at. %, optionally less than or equal to 19 at. %, optionally less than or equal to 18 at. %, optionally less than or equal to 17 at. %, optionally less than or equal to 16 at. %, optionally less than or equal to 15 at. %, optionally less than or equal to 14 at. %, optionally less than or equal to 13 at. %, optionally less than or equal to 12 at. %, optionally less than or equal to 11 at. %, optionally less than or equal to 10 at. %, optionally less than or equal to 9 at. %, optionally less than or equal to 8 at. %, optionally less than or equal to 7 at. %, optionally less than or equal to 6 at. %, optionally less than or equal to 5.0 at. %, optionally less than or equal to 4.5 at. %, optionally less than or equal to 4.0 at. %, optionally less than or equal to 3.5 at. %, optionally less than or equal to 3.0 at. %, optionally less than or equal to 2.7 at. %, optionally less than or equal to 2.5 at. %, optionally less than or equal to 2.3 at. %, optionally less than or equal to 2.1 at. %, optionally less than or equal to 2.0 at. %, optionally less than or equal to 1.9 at. %, optionally less than or equal to 1.7 at. %, optionally less than or equal to 1.5 at. %, optionally less than or equal to 1.3 at. %, optionally less than or equal to 1.0 at. %, optionally less than or equal to 0.8 at. %, optionally less than or equal to 0.7 at. %, optionally less than or equal to 0.6 at. %, optionally less than or equal to 0.5 at. %, optionally less than or equal to 0.4 at. %, optionally less than or equal to 0.3 at. %, optionally less than or equal to 0.2 at. %. Preferably, a total dopant concentration (concentration of the one or more dopants in a composition) in a material or composition thereof is greater than or equal to 0.1 at. % (optionally greater than or equal to 0.12%, optionally greater than or equal to 0.14%, optionally greater than or equal to 0.15%, optionally greater than or equal to 0.16%, optionally greater than or equal to 0.17%, optionally greater than or equal to 0.19%, optionally greater than or equal to 0.20%, optionally greater than or equal to 0.21%, optionally greater than or equal to 0.22%, optionally greater than or equal to 0.23%, optionally greater than or equal to 0.25%, optionally greater than or equal to 0.27%, optionally greater than or equal to 0.29%, optionally greater than or equal to 0.30%, optionally greater than or equal to 0.35%, optionally greater than or equal to 0.40%, optionally greater than or equal to 0.45%, optionally greater than or equal to 0.50%, optionally greater than or equal to 0.55%, optionally greater than or equal to 0.65%, optionally greater than or equal to 0.70%, optionally greater than or equal to 0.75%, optionally greater than or equal to 0.80%, optionally greater than or equal to 0.85%, optionally greater than or equal to 0.95%, optionally greater than or equal to 1.0%, optionally greater than or equal to 1.2%, optionally greater than or equal to 1.5%, optionally greater than or equal to 1.7%, optionally greater than or equal to 2.0%, optionally greater than or equal to 2.2%, optionally greater than or equal to 2.5%) and less than or equal to 30 at. % (optionally less than or equal to 28 at. %, optionally less than or equal to 25 at. %, optionally less than or equal to 22 at. %, optionally less than or equal to 21 at. %, optionally less than or equal to 20 at. %, optionally less than or equal to 19 at. %, optionally less than or equal to 18 at. %, optionally less than or equal to 17 at. %, optionally less than or equal to 16 at. %, optionally less than or equal to 15 at. %, optionally less than or equal to 14 at. %, optionally less than or equal to 13 at. %, optionally less than or equal to 12 at. %, optionally less than or equal to 11 at. %, optionally less than or equal to 10 at. %, optionally less than or equal to 9 at. %, optionally less than or equal to 8 at. %, optionally less than or equal to 7 at. %, optionally less than or equal to 6 at. %, optionally less than or equal to 5.0 at. %, optionally less than or equal to 4.5 at. %, optionally less than or equal to 4.0 at. %, optionally less than or equal to 3.5 at. %, optionally less than or equal to 3.0 at. %, optionally less than or equal to 2.7 at. %, optionally less than or equal to 2.5 at. %, optionally less than or equal to 2.3 at. %, optionally less than or equal to 2.1 at. %, optionally less than or equal to 2.0 at. %, optionally less than or equal to 1.9 at. %, optionally less than or equal to 1.7 at. %, optionally less than or equal to 1.5 at. %, optionally less than or equal to 1.3 at. %, optionally less than or equal to 1.0 at. %, optionally less than or equal to 0.8 at. %, optionally less than or equal to 0.7 at. %, optionally less than or equal to 0.6 at. %, optionally less than or equal to 0.5 at. %, optionally less than or equal to 0.4 at. %, optionally less than or equal to 0.3 at. %, optionally less than or equal to 0.2 at. %). Any value and range of total dopant concentration (concentration of the one or more dopants in a composition) between 0.1 at. % and 30 at. % is explicitly contemplated and disclosed herein. For example, optionally a total dopant concentration (concentration of the one or more dopants in a composition) in a material or composition thereof is selected from the range of 0.1 at. % to 20 at. %, optionally selected from the range of 0.1 at. % to 15 at. %, optionally selected from the range of 0.1 at. % to 10 at. %, optionally selected from the range of 0.1 at. % to 5 at. %, optionally selected from the range of 0.1 at. % to 4.0 at. %, optionally selected from the range of 0.1 at. % to 3.0 at. %, optionally selected from the range of 0.1 at. % to 2.5 at. %, optionally selected from the range of 0.1 at. % to 2.0 at. %, optionally selected from the range of 0.1 at. % to 1.5 at. %, optionally selected from the range of 0.1 at. % to 1.0 at. %, optionally selected from the range of 0.1 at. % to 0.95 at. %.

[0132] Preferably for some aspects or applications, a total dopant concentration (concentration of the one or more dopants in a composition) in a material or composition thereof is less than or equal to 30 mol. %, optionally less than or equal to 28 mol. %, optionally less than or equal to 25 mol. %, optionally less than or equal to 22 mol. %, optionally less than or equal to 21 mol. %, optionally less than or equal to 20 mol. %, optionally less than or equal to 19 mol. %, optionally less than or equal to 18 mol. %, optionally less than or equal to 17 mol. %, optionally less than or equal to 16 mol. %, optionally less than or equal to 15 mol. %, optionally less than or equal to 14 mol. %, optionally less than or equal to 13 mol. %, optionally less than or equal to 12 mol. %, optionally less than or equal to 11 mol. %, optionally less than or equal to 10 mol. %, optionally less than or equal to 9 mol. %, optionally less than or equal to 8 mol. %, optionally less than or equal to 7 mol. %, optionally less than or equal to 6 mol. %, optionally less than or equal to 5.0 mol. %, optionally less than or equal to 4.5 mol. %, optionally less than or equal to 4.0 mol. %, optionally less than or equal to 3.5 mol. %, optionally less than or equal to 3.0 mol. %, optionally less than or equal to 2.7 mol. %, optionally less than or equal to 2.5 mol. %, optionally less than or equal to 2.3 mol. %, optionally less than or equal to 2.1 mol. %, optionally less than or equal to 2.0 mol. %, optionally less than or equal to 1.9 mol. %, optionally less than or equal to 1.7 mol. %, optionally less than or equal to 1.5 mol. %, optionally less than or equal to 1.3 mol. %, optionally less than or equal to 1.0 mol. %, optionally less than or equal to 0.8 mol. %, optionally less than or equal to 0.7 mol. %, optionally less than or equal to 0.6 mol. %, optionally less than or equal to 0.5 mol. %, optionally less than or equal to 0.4 mol. %, optionally less than or equal to 0.3 mol. %, optionally less than or equal to 0.2 mol. %. Preferably, a total dopant concentration (concentration of the one or more dopants in a composition) in a material or composition thereof is greater than or equal to 0.1 mol. % (optionally greater than or equal to 0.12%, optionally greater than or equal to 0.14%, optionally greater than or equal to 0.15%, optionally greater than or equal to 0.16%, optionally greater than or equal to 0.17%, optionally greater than or equal to 0.19%, optionally greater than or equal to 0.20%, optionally greater than or equal to 0.21%, optionally greater than or equal to 0.22%, optionally greater than or equal to 0.23%, optionally greater than or equal to 0.25%, optionally greater than or equal to 0.27%, optionally greater than or equal to 0.29%, optionally greater than or equal to 0.30%, optionally greater than or equal to 0.35%, optionally greater than or equal to 0.40%, optionally greater than or equal to 0.45%, optionally greater than or equal to 0.50%, optionally greater than or equal to 0.55%, optionally greater than or equal to 0.65%, optionally greater than or equal to 0.70%, optionally greater than or equal to 0.75%, optionally greater than or equal to 0.80%, optionally greater than or equal to 0.85%, optionally greater than or equal to 0.95%, optionally greater than or equal to 1.0%, optionally greater than or equal to 1.2%, optionally greater than or equal to 1.5%, optionally greater than or equal to 1.7%, optionally greater than or equal to 2.0%, optionally greater than or equal to 2.2%, optionally greater than or equal to 2.5%) and less than or equal to 30 mol. % (optionally less than or equal to 28 mol. %, optionally less than or equal to 25 mol. %, optionally less than or equal to 22 mol. %, optionally less than or equal to 21 mol. %, optionally less than or equal to 20 mol. %, optionally less than or equal to 19 mol. %, optionally less than or equal to 18 mol. %, optionally less than or equal to 17 mol. %, optionally less than or equal to 16 mol. %, optionally less than or equal to 15 mol. %, optionally less than or equal to 14 mol. %, optionally less than or equal to 13 mol. %, optionally less than or equal to 12 mol. %, optionally less than or equal to 11 mol. %, optionally less than or equal to 10 mol. %, optionally less than or equal to 9 mol. %, optionally less than or equal to 8 mol. %, optionally less than or equal to 7 mol. %, optionally less than or equal to 6 mol. %, optionally less than or equal to 5.0 mol. %, optionally less than or equal to 4.5 mol. %, optionally less than or equal to 4.0 mol. %, optionally less than or equal to 3.5 mol. %, optionally less than or equal to 3.0 mol. %, optionally less than or equal to 2.7 mol. %, optionally less than or equal to 2.5 mol. %, optionally less than or equal to 2.3 mol. %, optionally less than or equal to 2.1 mol. %, optionally less than or equal to 2.0 mol. %, optionally less than or equal to 1.9 mol. %, optionally less than or equal to 1.7 mol. %, optionally less than or equal to 1.5 mol. %, optionally less than or equal to 1.3 mol. %, optionally less than or equal to 1.0 mol. %, optionally less than or equal to 0.8 mol. %, optionally less than or equal to 0.7 mol. %, optionally less than or equal to 0.6 mol. %, optionally less than or equal to 0.5 mol. %, optionally less than or equal to 0.4 mol. %, optionally less than or equal to 0.3 mol. %, optionally less than or equal to 0.2 mol. %). Any value and range of total dopant concentration (concentration of the one or more dopants in a composition) between 0.1 mol. % and 30 mol. % is explicitly contemplated and disclosed herein. For example, optionally a total dopant concentration (concentration of the one or more dopants in a composition) in a material or composition thereof is selected from the range of 0.1 mol. % to 20 mol. %, optionally selected from the range of 0.1 mol. % to 15 mol. %, optionally selected from the range of 0.1 mol. % to 10 mol. %, optionally selected from the range of 0.1 mol. % to 5 mol. %, optionally selected from the range of 0.1 mol. % to 4.0 mol. %, optionally selected from the range of 0.1 mol. % to 3.0 mol. %, optionally selected from the range of 0.1 mol. % to 2.5 mol. %, optionally selected from the range of 0.1 mol. % to 2.0 mol. %, optionally selected from the range of 0.1 mol. % to 1.5 mol. %, optionally selected from the range of 0.1 mol. % to 1.0 mol. %, optionally selected from the range of 0.1 mol. % to 0.95 mol. %.

[0133] Preferably for some aspects or applications, a total dopant concentration (concentration of the one or more dopants in a composition) in a material or composition thereof is less than or equal to 30 wt. %, optionally less than or equal to 28 wt. %, optionally less than or equal to 25 wt. %, optionally less than or equal to 22 wt. %, optionally less than or equal to 21 wt. %, optionally less than or equal to 20 wt. %, optionally less than or equal to 19 wt. %, optionally less than or equal to 18 wt. %, optionally less than or equal to 17 wt. %, optionally less than or equal to 16 wt. %, optionally less than or equal to 15 wt. %, optionally less than or equal to 14 wt. %, optionally less than or equal to 13 wt. %, optionally less than or equal to 12 wt. %, optionally less than or equal to 11 wt. %, optionally less than or equal to 10 wt. %, optionally less than or equal to 9 wt. %, optionally less than or equal to 8 wt. %, optionally less than or equal to 7 wt. %, optionally less than or equal to 6 wt. %, optionally less than or equal to 5.0 wt. %, optionally less than or equal to 4.5 wt. %, optionally less than or equal to 4.0 wt. %, optionally less than or equal to 3.5 wt. %, optionally less than or equal to 3.0 wt. %, optionally less than or equal to 2.7 wt. %, optionally less than or equal to 2.5 wt. %, optionally less than or equal to 2.3 wt. %, optionally less than or equal to 2.1 wt. %, optionally less than or equal to 2.0 wt. %, optionally less than or equal to 1.9 wt. %, optionally less than or equal to 1.7 wt. %, optionally less than or equal to 1.5 wt. %, optionally less than or equal to 1.3 wt. %, optionally less than or equal to 1.0 wt. %, optionally less than or equal to 0.8 wt. %, optionally less than or equal to 0.7 wt. %, optionally less than or equal to 0.6 wt. %, optionally less than or equal to 0.5 wt. %, optionally less than or equal to 0.4 wt. %, optionally less than or equal to 0.3 wt. %, optionally less than or equal to 0.2 wt. %. Preferably, a total dopant concentration (concentration of the one or more dopants in a composition) in a material or composition thereof is greater than or equal to 0.1 wt. % (optionally greater than or equal to 0.12%, optionally greater than or equal to 0.14%, optionally greater than or equal to 0.15%, optionally greater than or equal to 0.16%, optionally greater than or equal to 0.17%, optionally greater than or equal to 0.19%, optionally greater than or equal to 0.20%, optionally greater than or equal to 0.21%, optionally greater than or equal to 0.22%, optionally greater than or equal to 0.23%, optionally greater than or equal to 0.25%, optionally greater than or equal to 0.27%, optionally greater than or equal to 0.29%, optionally greater than or equal to 0.30%, optionally greater than or equal to 0.35%, optionally greater than or equal to 0.40%, optionally greater than or equal to 0.45%, optionally greater than or equal to 0.50%, optionally greater than or equal to 0.55%, optionally greater than or equal to 0.65%, optionally greater than or equal to 0.70%, optionally greater than or equal to 0.75%, optionally greater than or equal to 0.80%, optionally greater than or equal to 0.85%, optionally greater than or equal to 0.95%, optionally greater than or equal to 1.0%, optionally greater than or equal to 1.2%, optionally greater than or equal to 1.5%, optionally greater than or equal to 1.7%, optionally greater than or equal to 2.0%, optionally greater than or equal to 2.2%, optionally greater than or equal to 2.5%) and less than or equal to 30 wt. % (optionally less than or equal to 28 wt. %, optionally less than or equal to 25 wt. %, optionally less than or equal to 22 wt. %, optionally less than or equal to 21 wt. %, optionally less than or equal to 20 wt. %, optionally less than or equal to 19 wt. %, optionally less than or equal to 18 wt. %, optionally less than or equal to 17 wt. %, optionally less than or equal to 16 wt. %, optionally less than or equal to 15 wt. %, optionally less than or equal to 14 wt. %, optionally less than or equal to 13 wt. %, optionally less than or equal to 12 wt. %, optionally less than or equal to 11 wt. %, optionally less than or equal to 10 wt. %, optionally less than or equal to 9 wt. %, optionally less than or equal to 8 wt. %, optionally less than or equal to 7 wt. %, optionally less than or equal to 6 wt. %, optionally less than or equal to 5.0 wt. %, optionally less than or equal to 4.5 wt. %, optionally less than or equal to 4.0 wt. %, optionally less than or equal to 3.5 wt. %, optionally less than or equal to 3.0 wt. %, optionally less than or equal to 2.7 wt. %, optionally less than or equal to 2.5 wt. %, optionally less than or equal to 2.3 wt. %, optionally less than or equal to 2.1 wt. %, optionally less than or equal to 2.0 wt. %, optionally less than or equal to 1.9 wt. %, optionally less than or equal to 1.7 wt. %, optionally less than or equal to 1.5 wt. %, optionally less than or equal to 1.3 wt. %, optionally less than or equal to 1.0 wt. %, optionally less than or equal to 0.8 wt. %, optionally less than or equal to 0.7 wt. %, optionally less than or equal to 0.6 wt. %, optionally less than or equal to 0.5 wt. %, optionally less than or equal to 0.4 wt. %, optionally less than or equal to 0.3 wt. %, optionally less than or equal to 0.2 wt. %). Any value and range of total dopant concentration (concentration of the one or more dopants in a composition) between 0.1 wt. % and 30 wt. % is explicitly contemplated and disclosed herein. For example, optionally a total dopant concentration (concentration of the one or more dopants in a composition) in a material or composition thereof is selected from the range of 0.1 wt. % to 20 wt. %, optionally selected from the range of 0.1 wt. % to 15 wt. %, optionally selected from the range of 0.1 wt. % to 10 wt. %, optionally selected from the range of 0.1 wt. % to 5 wt. %, optionally selected from the range of 0.1 wt. % to 4.0 wt. %, optionally selected from the range of 0.1 wt. % to 3.0 wt. %, optionally selected from the range of 0.1 wt. % to 2.5 wt. %, optionally selected from the range of 0.1 wt. % to 2.0 wt. %, optionally selected from the range of 0.1 wt. % to 1.5 wt. %, optionally selected from the range of 0.1 wt. % to 1.0 wt. %, optionally selected from the range of 0.1 wt. % to 0.95 wt. %.

[0134] The substituted or doped compositions disclosed herein generally have only a small amount of a principal element substituted for or replaced with a dopant (the dopant being one or more elements aliovalent with respect to the substituted or replaced principal element). Optionally, the relative amount of any principal element of a composition that is substituted with a dopant is less than or equal to 20 at. %, optionally less than or equal to 19 at. %, optionally less than or equal to 18 at. %, optionally less than or equal to 17 at. %, optionally less than or equal to 16 at. %, optionally less than or equal to 15 at. %, optionally less than or equal to 14 at. %, optionally less than or equal to 13 at. %, optionally less than or equal to 12 at. %, optionally less than or equal to 11 at. %, optionally less than or equal to 10 at. %, optionally less than or equal to 9 at. %, optionally less than or equal to 8 at. %, optionally less than or equal to 7 at. %, optionally less than or equal to 6 at. %, optionally less than or equal to 5.0 at. %, optionally less than or equal to 4.5 at. %, optionally less than or equal to 4.0 at. %, optionally less than or equal to 3.5 at. %, optionally less than or equal to 3.0 at. %, optionally less than or equal to 2.7 at. %, optionally less than or equal to 2.5 at. %, optionally less than or equal to 2.3 at. %, optionally less than or equal to 2.1 at. %, optionally less than or equal to 2.0 at. %, optionally less than or equal to 1.9 at. %, optionally less than or equal to 1.7 at. %, optionally less than or equal to 1.5 at. %, optionally less than or equal to 1.3 at. %, optionally less than or equal to 1.0 at. %, optionally less than or equal to 0.8 at. %, optionally less than or equal to 0.7 at. %, optionally less than or equal to 0.6 at. %, optionally less than or equal to 0.5 at. %, optionally less than or equal to 0.4 at. %, optionally less than or equal to 0.3 at. %, optionally less than or equal to 0.2 at. %. Optionally, the relative amount of any principal element of a composition that is substituted with a dopant is greater than or equal to 0.1 at. % (optionally greater than or equal to 0.12%, optionally greater than or equal to 0.14%, optionally greater than or equal to 0.15%, optionally greater than or equal to 0.16%, optionally greater than or equal to 0.17%, optionally greater than or equal to 0.19%, optionally greater than or equal to 0.20%, optionally greater than or equal to 0.21%, optionally greater than or equal to 0.22%, optionally greater than or equal to 0.23%, optionally greater than or equal to 0.25%, optionally greater than or equal to 0.27%, optionally greater than or equal to 0.29%, optionally greater than or equal to 0.30%, optionally greater than or equal to 0.35%, optionally greater than or equal to 0.40%, optionally greater than or equal to 0.45%, optionally greater than or equal to 0.50%, optionally greater than or equal to 0.55%, optionally greater than or equal to 0.65%, optionally greater than or equal to 0.70%, optionally greater than or equal to 0.75%, optionally greater than or equal to 0.80%, optionally greater than or equal to 0.85%, optionally greater than or equal to 0.95%, optionally greater than or equal to 1.0%, optionally greater than or equal to 1.2%, optionally greater than or equal to 1.5%, optionally greater than or equal to 1.7%, optionally greater than or equal to 2.0%, optionally greater than or equal to 2.2%, optionally greater than or equal to 2.5%) and less than or equal to 20 at. % (optionally less than or equal to 19 at. %, optionally less than or equal to 18 at. %, optionally less than or equal to 17 at. %, optionally less than or equal to 16 at. %, optionally less than or equal to 15 at. %, optionally less than or equal to 14 at. %, optionally less than or equal to 13 at. %, optionally less than or equal to 12 at. %, optionally less than or equal to 11 at. %, optionally less than or equal to 10 at. %, optionally less than or equal to 9 at. %, optionally less than or equal to 8 at. %, optionally less than or equal to 7 at. %, optionally less than or equal to 6 at. %, optionally less than or equal to 5.0 at. %, optionally less than or equal to 4.5 at. %, optionally less than or equal to 4.0 at. %, optionally less than or equal to 3.5 at. %, optionally less than or equal to 3.0 at. %, optionally less than or equal to 2.7 at. %, optionally less than or equal to 2.5 at. %, optionally less than or equal to 2.3 at. %, optionally less than or equal to 2.1 at. %, optionally less than or equal to 2.0 at. %, optionally less than or equal to 1.9 at. %, optionally less than or equal to 1.7 at. %, optionally less than or equal to 1.5 at. %, optionally less than or equal to 1.3 at. %, optionally less than or equal to 1.0 at. %, optionally less than or equal to 0.8 at. %, optionally less than or equal to 0.7 at. %, optionally less than or equal to 0.6 at. %, optionally less than or equal to 0.5 at. %, optionally less than or equal to 0.4 at. %, optionally less than or equal to 0.3 at. %, optionally less than or equal to 0.2 at. %). Any value and range of the relative amount, of any principal element of a composition that is substituted with a dopant, between 0.1 at. % and 20 at. % is explicitly contemplated and disclosed herein. For example, optionally, the relative amount of any principal element of a composition that is substituted with a dopant is selected from the range of 0.1 at. % to 20 at. %, optionally selected from the range of 0.1 at. % to 15 at. %, optionally selected from the range of 0.1 at. % to 10 at. %, optionally selected from the range of 0.1 at. % to 5 at. %, optionally selected from the range of 0.1 at. % to 4.0 at. %, optionally selected from the range of 0.1 at. % to 3.0 at. %, optionally selected from the range of 0.1 at. % to 2.5 at. %, optionally selected from the range of 0.1 at. % to 2.0 at. %, optionally selected from the range of 0.1 at. % to 1.5 at. %, optionally selected from the range of 0.1 at. % to 1.0 at. %, optionally selected from the range of 0.1 at. % to 0.95 at. %.

[0135] Optionally, the relative amount of any principal element of a composition that is substituted with a dopant is less than or equal to 20 mol. %, optionally less than or equal to 19 mol. %, optionally less than or equal to 18 mol. %, optionally less than or equal to 17 mol. %, optionally less than or equal to 16 mol. %, optionally less than or equal to 15 mol. %, optionally less than or equal to 14 mol. %, optionally less than or equal to 13 mol. %, optionally less than or equal to 12 mol. %, optionally less than or equal to 11 mol. %, optionally less than or equal to 10 mol. %, optionally less than or equal to 9 mol. %, optionally less than or equal to 8 mol. %, optionally less than or equal to 7 mol. %, optionally less than or equal to 6 mol. %, optionally less than or equal to 5.0 mol. %, optionally less than or equal to 4.5 mol. %, optionally less than or equal to 4.0 mol. %, optionally less than or equal to 3.5 mol. %, optionally less than or equal to 3.0 mol. %, optionally less than or equal to 2.7 mol. %, optionally less than or equal to 2.5 mol. %, optionally less than or equal to 2.3 mol. %, optionally less than or equal to 2.1 mol. %, optionally less than or equal to 2.0 mol. %, optionally less than or equal to 1.9 mol. %, optionally less than or equal to 1.7 mol. %, optionally less than or equal to 1.5 mol. %, optionally less than or equal to 1.3 mol. %, optionally less than or equal to 1.0 mol. %, optionally less than or equal to 0.8 mol. %, optionally less than or equal to 0.7 mol. %, optionally less than or equal to 0.6 mol. %, optionally less than or equal to 0.5 mol. %, optionally less than or equal to 0.4 mol. %, optionally less than or equal to 0.3 mol. %, optionally less than or equal to 0.2 mol. %. Optionally, the relative amount of any principal element of a composition that is substituted with a dopant is greater than or equal to 0.1 mol. % (optionally greater than or equal to 0.12%, optionally greater than or equal to 0.14%, optionally greater than or equal to 0.15%, optionally greater than or equal to 0.16%, optionally greater than or equal to 0.17%, optionally greater than or equal to 0.19%, optionally greater than or equal to 0.20%, optionally greater than or equal to 0.21%, optionally greater than or equal to 0.22%, optionally greater than or equal to 0.23%, optionally greater than or equal to 0.25%, optionally greater than or equal to 0.27%, optionally greater than or equal to 0.29%, optionally greater than or equal to 0.30%, optionally greater than or equal to 0.35%, optionally greater than or equal to 0.40%, optionally greater than or equal to 0.45%, optionally greater than or equal to 0.50%, optionally greater than or equal to 0.55%, optionally greater than or equal to 0.65%, optionally greater than or equal to 0.70%, optionally greater than or equal to 0.75%, optionally greater than or equal to 0.80%, optionally greater than or equal to 0.85%, optionally greater than or equal to 0.95%, optionally greater than or equal to 1.0%, optionally greater than or equal to 1.2%, optionally greater than or equal to 1.5%, optionally greater than or equal to 1.7%, optionally greater than or equal to 2.0%, optionally greater than or equal to 2.2%, optionally greater than or equal to 2.5%) and less than or equal to 20 mol. % (optionally less than or equal to 19 mol. %, optionally less than or equal to 18 mol. %, optionally less than or equal to 17 mol. %, optionally less than or equal to 16 mol. %, optionally less than or equal to 15 mol. %, optionally less than or equal to 14 mol. %, optionally less than or equal to 13 mol. %, optionally less than or equal to 12 mol. %, optionally less than or equal to 11 mol. %, optionally less than or equal to 10 mol. %, optionally less than or equal to 9 mol. %, optionally less than or equal to 8 mol. %, optionally less than or equal to 7 mol. %, optionally less than or equal to 6 mol. %, optionally less than or equal to 5.0 mol. %, optionally less than or equal to 4.5 mol. %, optionally less than or equal to 4.0 mol. %, optionally less than or equal to 3.5 mol. %, optionally less than or equal to 3.0 mol. %, optionally less than or equal to 2.7 mol. %, optionally less than or equal to 2.5 mol. %, optionally less than or equal to 2.3 mol. %, optionally less than or equal to 2.1 mol. %, optionally less than or equal to 2.0 mol. %, optionally less than or equal to 1.9 mol. %, optionally less than or equal to 1.7 mol. %, optionally less than or equal to 1.5 mol. %, optionally less than or equal to 1.3 mol. %, optionally less than or equal to 1.0 mol. %, optionally less than or equal to 0.8 mol. %, optionally less than or equal to 0.7 mol. %, optionally less than or equal to 0.6 mol. %, optionally less than or equal to 0.5 mol. %, optionally less than or equal to 0.4 mol. %, optionally less than or equal to 0.3 mol. %, optionally less than or equal to 0.2 mol. %). Any value and range of the relative amount, of any principal element of a composition that is substituted with a dopant, between 0.1 mol. % and 20 mol. % is explicitly contemplated and disclosed herein. For example, optionally, the relative amount of any principal element of a composition that is substituted with a dopant is selected from the range of 0.1 mol. % to 20 mol. %, optionally selected from the range of 0.1 mol. % to 15 mol. %, optionally selected from the range of 0.1 mol. % to 10 mol. %, optionally selected from the range of 0.1 mol. % to 5 mol. %, optionally selected from the range of 0.1 mol. % to 4.0 mol. %, optionally selected from the range of 0.1 mol. % to 3.0 mol. %, optionally selected from the range of 0.1 mol. % to 2.5 mol. %, optionally selected from the range of 0.1 mol. % to 2.0 mol. %, optionally selected from the range of 0.1 mol. % to 1.5 mol. %, optionally selected from the range of 0.1 mol. % to 1.0 mol. %, optionally selected from the range of 0.1 mol. % to 0.95 mol. %.

[0136] Optionally, the relative amount of any principal element of a composition that is substituted with a dopant is less than or equal to 20 wt. %, optionally less than or equal to 19 wt. %, optionally less than or equal to 18 wt. %, optionally less than or equal to 17 wt. %, optionally less than or equal to 16 wt. %, optionally less than or equal to 15 wt. %, optionally less than or equal to 14 wt. %, optionally less than or equal to 13 wt. %, optionally less than or equal to 12 wt. %, optionally less than or equal to 11 wt. %, optionally less than or equal to 10 wt. %, optionally less than or equal to 9 wt. %, optionally less than or equal to 8 wt. %, optionally less than or equal to 7 wt. %, optionally less than or equal to 6 wt. %, optionally less than or equal to 5.0 wt. %, optionally less than or equal to 4.5 wt. %, optionally less than or equal to 4.0 wt. %, optionally less than or equal to 3.5 wt. %, optionally less than or equal to 3.0 wt. %, optionally less than or equal to 2.7 wt. %, optionally less than or equal to 2.5 wt. %, optionally less than or equal to 2.3 wt. %, optionally less than or equal to 2.1 wt. %, optionally less than or equal to 2.0 wt. %, optionally less than or equal to 1.9 wt. %, optionally less than or equal to 1.7 wt. %, optionally less than or equal to 1.5 wt. %, optionally less than or equal to 1.3 wt. %, optionally less than or equal to 1.0 wt. %, optionally less than or equal to 0.8 wt. %, optionally less than or equal to 0.7 wt. %, optionally less than or equal to 0.6 wt. %, optionally less than or equal to 0.5 wt. %, optionally less than or equal to 0.4 wt. %, optionally less than or equal to 0.3 wt. %, optionally less than or equal to 0.2 wt. %. Optionally, the relative amount of any principal element of a composition that is substituted with a dopant is greater than or equal to 0.1 wt. % (optionally greater than or equal to 0.12%, optionally greater than or equal to 0.14%, optionally greater than or equal to 0.15%, optionally greater than or equal to 0.16%, optionally greater than or equal to 0.17%, optionally greater than or equal to 0.19%, optionally greater than or equal to 0.20%, optionally greater than or equal to 0.21%, optionally greater than or equal to 0.22%, optionally greater than or equal to 0.23%, optionally greater than or equal to 0.25%, optionally greater than or equal to 0.27%, optionally greater than or equal to 0.29%, optionally greater than or equal to 0.30%, optionally greater than or equal to 0.35%, optionally greater than or equal to 0.40%, optionally greater than or equal to 0.45%, optionally greater than or equal to 0.50%, optionally greater than or equal to 0.55%, optionally greater than or equal to 0.65%, optionally greater than or equal to 0.70%, optionally greater than or equal to 0.75%, optionally greater than or equal to 0.80%, optionally greater than or equal to 0.85%, optionally greater than or equal to 0.95%, optionally greater than or equal to 1.0%, optionally greater than or equal to 1.2%, optionally greater than or equal to 1.5%, optionally greater than or equal to 1.7%, optionally greater than or equal to 2.0%, optionally greater than or equal to 2.2%, optionally greater than or equal to 2.5%) and less than or equal to 20 wt. % (optionally less than or equal to 19 wt. %, optionally less than or equal to 18 wt. %, optionally less than or equal to 17 wt. %, optionally less than or equal to 16 wt. %, optionally less than or equal to 15 wt. %, optionally less than or equal to 14 wt. %, optionally less than or equal to 13 wt. %, optionally less than or equal to 12 wt. %, optionally less than or equal to 11 wt. %, optionally less than or equal to 10 wt. %, optionally less than or equal to 9 wt. %, optionally less than or equal to 8 wt. %, optionally less than or equal to 7 wt. %, optionally less than or equal to 6 wt. %, optionally less than or equal to 5.0 wt. %, optionally less than or equal to 4.5 wt. %, optionally less than or equal to 4.0 wt. %, optionally less than or equal to 3.5 wt. %, optionally less than or equal to 3.0 wt. %, optionally less than or equal to 2.7 wt. %, optionally less than or equal to 2.5 wt. %, optionally less than or equal to 2.3 wt. %, optionally less than or equal to 2.1 wt. %, optionally less than or equal to 2.0 wt. %, optionally less than or equal to 1.9 wt. %, optionally less than or equal to 1.7 wt. %, optionally less than or equal to 1.5 wt. %, optionally less than or equal to 1.3 wt. %, optionally less than or equal to 1.0 wt. %, optionally less than or equal to 0.8 wt. %, optionally less than or equal to 0.7 wt. %, optionally less than or equal to 0.6 wt. %, optionally less than or equal to 0.5 wt. %, optionally less than or equal to 0.4 wt. %, optionally less than or equal to 0.3 wt. %, optionally less than or equal to 0.2 wt. %). Any value and range of the relative amount, of any principal element of a composition that is substituted with a dopant, between 0.1 wt. % and 20 wt. % is explicitly contemplated and disclosed herein. For example, optionally, the relative amount of any principal element of a composition that is substituted with a dopant is selected from the range of 0.1 wt. % to 20 wt. %, optionally selected from the range of 0.1 wt. % to 15 wt. %, optionally selected from the range of 0.1 wt. % to 10 wt. %, optionally selected from the range of 0.1 wt. % to 5 wt. %, optionally selected from the range of 0.1 wt. % to 4.0 wt. %, optionally selected from the range of 0.1 wt. % to 3.0 wt. %, optionally selected from the range of 0.1 wt. % to 2.5 wt. %, optionally selected from the range of 0.1 wt. % to 2.0 wt. %, optionally selected from the range of 0.1 wt. % to 1.5 wt. %, optionally selected from the range of 0.1 wt. % to 1.0 wt. %, optionally selected from the range of 0.1 wt. % to 0.95 wt. %.

Certain Aspects And Embodiments

[0137] Various aspects are contemplated and disclosed herein, several of which are set forth in the paragraphs below. It is explicitly contemplated and disclosed that any aspect or portion thereof can be combined to form an aspect. In addition, it is explicitly contemplated and disclosed that: any reference to Aspect 1 includes reference to Aspects 1a, 1b, 1c, 1d, 1e, 1f, 1g, 1h, 1i, 1j, 1k, and/or 1l, and any combination thereof; any reference to Aspect 3 includes reference to Aspects 3a, 3b, and/or 3c; and so on (i.e., any reference to an aspect includes reference to that aspect's lettered versions). Moreover, the terms any preceding aspect and any one of the preceding aspects means any aspect that appears prior to the aspect that contains such phrase (for example, the sentence Aspect 15: The material, device, electrolyte, or method of any preceding Aspect . . . means that any Aspect prior to Aspect 15 is referenced, including letter versions, including aspects 1a through 14b). For example, it is contemplated and disclosed that, optionally, any composition, method, or formulation of any the below aspects may be useful with or combined with any other aspect provided below. Further, for example, it is contemplated and disclosed that any embodiment or aspect described above may, optionally, be combined with any of the below listed aspects.

[0138] Aspect 1a: A material comprising: [0139] a lithium thioborate composition characterized by formula FX1:

Li.sub.3?z[B+Q].sub.1[S+G].sub.3(FX1); [0140] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0141] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0142] wherein z is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0143] wherein the composition comprises only the first dopant, only the second dopant, or both the first dopant and the second dopant.

[0144] Aspect 1b: A device comprising: [0145] a material, the material comprising: [0146] a lithium thioborate composition characterized by formula FX1:

Li.sub.3?z[B+Q].sub.1[S+G].sub.3(FX1); [0147] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0148] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0149] wherein z is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0150] wherein the composition comprises only the first dopant, only the second dopant, or both the first dopant and the second dopant.

[0151] Aspect 1c: A solid state electrolyte comprising: [0152] a lithium thioborate composition characterized by formula FX1:

Li.sub.3?z[B+Q].sub.1[S+G].sub.3(FX1); [0153] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0154] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0155] wherein z is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0156] wherein the composition comprises only the first dopant, only the second dopant, or both the first dopant and the second dopant.

[0157] Aspect 1d: A method of making a material, the method comprising: [0158] combining a plurality of precursors comprising lithium, boron, sulfur, and at least one of a first dopant and a second dopant; and [0159] heating the combined plurality of precursors to form the material having a lithium thioborate composition; [0160] wherein the lithium thioborate composition is characterized by formula FX1:

Li.sub.3?z[B+Q].sub.1[S+G].sub.3(FX1); [0161] wherein Q is the first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0162] wherein G is the second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0163] wherein z is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0164] wherein the composition comprises only the first dopant, only the second dopant, or both the first dopant and the second dopant.

[0165] Aspect 1e: An electrolyte comprising: [0166] a lithium solid state electrolyte comprising Li, one or more principal elements (optionally, non-Li principal elements), and at least one dopant; [0167] wherein the dopant substitutes for a portion of the one of the one or more principal elements (optionally, non-Li principal elements) of the lithium solid state electrolyte and is aliovalent with the respective substituted principal elements (optionally, non-Li principal elements); [0168] wherein the ionic conductivity of the lithium solid state electrolyte is greater than or equal to 1.Math.10.sup.?5 S/cm at 25? C.

[0169] Aspect 1f: A doped lithium solid state electrolyte comprising: [0170] a doped inorganic composition having at least one dopant; [0171] wherein the doped composition has up to 20 at. % (optionally up to 15 at. %, optionally up to 12 at. %, optionally up to 10 at. %, optionally up to 8 at. %, optionally up to 5 at. %, optionally up to 3 at. %, optionally up to 2 at. %, optionally up to 1 at. %, optionally up to 0.9 at. %, optionally up to 0.8 at. %, optionally up to 0.7 at. %, optionally up to 0.5 at. %) of one or more principal elements (optionally, non-Li principal elements) substituted with the at least one dopant relative to a reference composition of a reference lithium solid state electrolyte; [0172] wherein each dopant is one or more elements each aliovalent with the respective substituted principal element (optionally, a non-Li principal element); [0173] wherein the presence of the one or more dopants provides for an ionic conductivity greater than or equal to 1.Math.10.sup.?5 S/cm at 25? C.

[0174] Aspect 1g: A method for increasing an ionic conductivity of a reference lithium solid state electrolyte, the method comprising: [0175] forming a doped lithium solid state electrolyte having a doped composition; [0176] wherein the reference lithium solid state electrolyte has a reference composition, and wherein the doped composition has up to 20 at. % (optionally up to 15 at. %, optionally up to 12 at. %, optionally up to 10 at. %, optionally up to 8 at. %, optionally up to 5 at. %, optionally up to 3 at. %, optionally up to 2 at. %, optionally up to 1 at. %, optionally up to 0.9 at. %, optionally up to 0.8 at. %, optionally up to 0.7 at. %, optionally up to 0.5 at. %) of one or more principal elements (optionally, non-Li principal elements) substituted with at least one dopant relative to the reference composition; [0177] wherein each element of the at least one dopant is aliovalent with respect to the respective substituted principal element (optionally, a non-Li principal element); and [0178] wherein the doped lithium solid state electrolyte has a greater ionic conductivity than the reference lithium solid state electrolyte by a factor of at least 2 (optionally at least 3, optionally at least 4, optionally at least 5, optionally at least 6, optionally at least 7, optionally at least 8, optionally at least 9, optionally at least 10, optionally at least 11, optionally at least 12, optionally at least 13, optionally at least 14, optionally at least 15, optionally at least 18, optionally at least 20, optionally at least 21, optionally at least 22, optionally at least 23, optionally at least 24, optionally at least 25, optionally at least 50, optionally at least 75, optionally at least 100, optionally at least 125, optionally at least 150, optionally at least 175, optionally at least 200, optionally at least 300, optionally at least 400, optionally at least 500, optionally at least 600, optionally at least 700, optionally at least 800, optionally at least 900, optionally at least 1000, optionally at least 1100, optionally at least 1200, optionally at least 1300, optionally at least 1400).

[0179] Aspect 1h: The material, device, electrolyte, or method of Aspect 1, wherein z is greater than 0 and less than 1 (optionally less than or equal to 0.50, optionally less than or equal to 0.45, optionally less than or equal to 0.40, optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025).

[0180] The material, device, electrolyte, or method of Aspect 1, wherein z is greater than 0 and less than 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025).

[0181] Aspect 1j: The material, device, electrolyte, or method of Aspect 1, wherein the material or the composition thereof is a solid solution.

[0182] Aspect 1k: Any material or composition disclosed herein, such as any of those disclosed in Examples 1A and 1B, optionally further doped/substituted and/or optionally amorphized.

[0183] Aspect 1l: The material, device, electrolyte, or method of Aspect 1, wherein z is greater than 0 and less than 0.15.

[0184] Aspect 2a: A material comprising: [0185] a lithium thioborate composition characterized by formula FX2:

Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); [0186] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0187] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0188] wherein x is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); [0189] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0190] wherein G is one or more Group 17 (halogen) elements.

[0191] Aspect 2b: A device comprising: [0192] a material, the material comprising: [0193] a lithium thioborate composition characterized by formula FX2:

Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); [0194] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0195] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0196] wherein x is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); [0197] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0198] wherein G is one or more Group 17 (halogen) elements.

[0199] Aspect 2c: A solid state electrolyte comprising: [0200] a lithium thioborate composition characterized by formula FX2:

Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); [0201] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0202] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0203] wherein x is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); [0204] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0205] wherein G is one or more Group 17 (halogen) elements.

[0206] Aspect 2d: A method of making a material, the method comprising: [0207] combining a plurality of precursors comprising lithium, boron, sulfur, a first dopant, and a second dopant; and [0208] heating the combined plurality of precursors to form the material having a lithium thioborate composition; [0209] wherein the lithium thioborate composition is characterized by formula FX2:

Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX4); [0210] wherein Q is the first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0211] wherein G is the second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0212] wherein x is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); [0213] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0214] wherein G is one or more Group 17 (halogen) elements.

[0215] Aspect 2e: An electrolyte comprising: [0216] a lithium solid state electrolyte comprising Li, one or more principal elements (optionally, non-Li principal elements), and at least one dopant; [0217] wherein the dopant substitutes for a portion of the one of the one or more principal elements (optionally, non-Li principal elements) of the lithium solid state electrolyte and is aliovalent with the respective substituted principal elements (optionally, non-Li principal elements); [0218] wherein the ionic conductivity of the lithium solid state electrolyte is greater than or equal to 1.Math.10.sup.?5 S/cm at 25? C.

[0219] Aspect 2f: A doped lithium solid state electrolyte comprising: [0220] a doped inorganic composition having at least one dopant; [0221] wherein the doped composition has up to 20 at. % (optionally up to 15 at. %, optionally up to 12 at. %, optionally up to 10 at. %, optionally up to 8 at. %, optionally up to 5 at. %, optionally up to 3 at. %, optionally up to 2 at. %, optionally up to 1 at. %, optionally up to 0.9 at. %, optionally up to 0.8 at. %, optionally up to 0.7 at. %, optionally up to 0.5 at. %) of one or more principal elements (optionally, non-Li principal elements) substituted with the at least one dopant relative to a reference composition of a reference lithium solid state electrolyte; [0222] wherein each dopant is one or more elements each aliovalent with the respective substituted principal element (optionally, a non-Li principal element); [0223] wherein the presence of the one or more dopants provides for an ionic conductivity greater than or equal to 1.Math.10.sup.?5 S/cm at 25? C.

[0224] Aspect 2g: A method for increasing an ionic conductivity of a reference lithium solid state electrolyte, the method comprising: [0225] forming a doped lithium solid state electrolyte having a doped composition; [0226] wherein the reference lithium solid state electrolyte has a reference composition, and wherein the doped composition has up to 20 at. % (optionally up to 15 at. %, optionally up to 12 at. %, optionally up to 10 at. %, optionally up to 8 at. %, optionally up to 5 at. %, optionally up to 3 at. %, optionally up to 2 at. %, optionally up to 1 at. %, optionally up to 0.9 at. %, optionally up to 0.8 at. %, optionally up to 0.7 at. %, optionally up to 0.5 at. %) of one or more principal elements (optionally, non-Li principal elements) substituted with at least one dopant relative to the reference composition; [0227] wherein each element of the at least one dopant is aliovalent with respect to the respective substituted principal element (optionally, a non-Li principal element); and [0228] wherein the doped lithium solid state electrolyte has a greater ionic conductivity than the reference lithium solid state electrolyte by a factor of at least 2 (optionally at least 3, optionally at least 4, optionally at least 5, optionally at least 6, optionally at least 7, optionally at least 8, optionally at least 9, optionally at least 10, optionally at least 11, optionally at least 12, optionally at least 13, optionally at least 14, optionally at least 15, optionally at least 18, optionally at least 20, optionally at least 21, optionally at least 22, optionally at least 23, optionally at least 24, optionally at least 25, optionally at least 50, optionally at least 75, optionally at least 100, optionally at least 125, optionally at least 150, optionally at least 175, optionally at least 200, optionally at least 300, optionally at least 400, optionally at least 500, optionally at least 600, optionally at least 700, optionally at least 800, optionally at least 900, optionally at least 1000, optionally at least 1100, optionally at least 1200, optionally at least 1300, optionally at least 1400).

[0229] Aspect 2h: The material, device, electrolyte, or method of Aspect 2, wherein y is greater than 0 and less than 1 (optionally less than or equal to 0.50, optionally less than or equal to 0.45, optionally less than or equal to 0.40, optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025).

[0230] Aspect 2i: The material, device, electrolyte, or method of Aspect 2, wherein x is greater than 0 and less than 1 (optionally less than or equal to 0.50, optionally less than or equal to 0.45, optionally less than or equal to 0.40, optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025).

[0231] Aspect 2j: The material, device, electrolyte, or method of Aspect 2, wherein y is greater than 0 and less than 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025).

[0232] Aspect 2k: The material, device, electrolyte, or method of Aspect 2, wherein x is greater than 0 and less than 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025).

[0233] Aspect 2l: The material, device, electrolyte, or method of Aspect 2, wherein the material or the composition thereof is a solid solution.

[0234] Aspect 2m: Any material or composition disclosed herein, such as any of those disclosed in Examples 1A and 1B, optionally further doped/substituted and/or optionally amorphized.

[0235] Aspect 2n: The material, device, electrolyte, or method of Aspect 2, wherein y is greater than 0 and less than 0.15.

[0236] Aspect 2o: The material, device, electrolyte, or method of Aspect 2, wherein y is greater than 0 and less than 0.15.

[0237] Aspect 3a: A material comprising: [0238] a lithium thioborate composition characterized by formula FX4:

Li.sub.3?yBS.sub.3?yG.sub.y(FX4); [0239] wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0240] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0241] wherein G is one or more Group 17 (halogen) elements.

[0242] Aspect 3b: A device comprising: [0243] a material, the material comprising: [0244] a lithium thioborate composition characterized by formula FX4:

Li.sub.3?yBS.sub.3?yG.sub.y(FX4); [0245] wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0246] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0247] wherein G is one or more Group 17 (halogen) elements.

[0248] Aspect 3c: A solid state electrolyte comprising: [0249] a lithium thioborate composition characterized by formula FX4:

Li.sub.3?yBS.sub.3?yG.sub.y(FX4); [0250] wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0251] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0252] wherein G is one or more Group 17 (halogen) elements.

[0253] Aspect 3d: A method of making a material, the method comprising: [0254] combining a plurality of precursors comprising lithium, boron, sulfur, and a dopant; and [0255] heating the combined plurality of precursors to form the material having a lithium thioborate composition; [0256] wherein the lithium thioborate composition is characterized by formula FX4:

Li.sub.3?yBS.sub.3?yG.sub.y(FX4); [0257] wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0258] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0259] wherein G is one or more Group 17 (halogen) elements.

[0260] Aspect 3e: An electrolyte comprising: [0261] a lithium solid state electrolyte comprising Li, one or more principal elements (optionally, non-Li principal elements), and at least one dopant; [0262] wherein the dopant substitutes for a portion of the one of the one or more principal elements (optionally, non-Li principal elements) of the lithium solid state electrolyte and is aliovalent with the respective substituted principal elements (optionally, non-Li principal elements); [0263] wherein the ionic conductivity of the lithium solid state electrolyte is greater than or equal to 1.Math.10.sup.?5 S/cm at 25? C.

[0264] Aspect 3f: A doped lithium solid state electrolyte comprising: [0265] a doped inorganic composition having at least one dopant; [0266] wherein the doped composition has up to 20 at. % (optionally up to 15 at. %, optionally up to 12 at. %, optionally up to 10 at. %, optionally up to 8 at. %, optionally up to 5 at. %, optionally up to 3 at. %, optionally up to 2 at. %, optionally up to 1 at. %, optionally up to 0.9 at. %, optionally up to 0.8 at. %, optionally up to 0.7 at. %, optionally up to 0.5 at. %) of one or more principal elements (optionally, non-Li principal elements) substituted with the at least one dopant relative to a reference composition of a reference lithium solid state electrolyte; [0267] wherein each dopant is one or more elements each aliovalent with the respective substituted principal element (optionally, a non-Li principal element); [0268] wherein the presence of the one or more dopants provides for an ionic conductivity greater than or equal to 1.Math.10.sup.?5 S/cm at 25? C.

[0269] Aspect 3g: A method for increasing an ionic conductivity of a reference lithium solid state electrolyte, the method comprising: [0270] forming a doped lithium solid state electrolyte having a doped composition; [0271] wherein the reference lithium solid state electrolyte has a reference composition, and wherein the doped composition has up to 20 at. % (optionally up to 15 at. %, optionally up to 12 at. %, optionally up to 10 at. %, optionally up to 8 at. %, optionally up to 5 at. %, optionally up to 3 at. %, optionally up to 2 at. %, optionally up to 1 at. %, optionally up to 0.9 at. %, optionally up to 0.8 at. %, optionally up to 0.7 at. %, optionally up to 0.5 at. %) of one or more principal elements (optionally, non-Li principal elements) substituted with at least one dopant relative to the reference composition; [0272] wherein each element of the at least one dopant is aliovalent with respect to the respective substituted principal element (optionally, a non-Li principal element); and [0273] wherein the doped lithium solid state electrolyte has a greater ionic conductivity than the reference lithium solid state electrolyte by a factor of at least 2 (optionally at least 3, optionally at least 4, optionally at least 5, optionally at least 6, optionally at least 7, optionally at least 8, optionally at least 9, optionally at least 10, optionally at least 11, optionally at least 12, optionally at least 13, optionally at least 14, optionally at least 15, optionally at least 18, optionally at least 20, optionally at least 21, optionally at least 22, optionally at least 23, optionally at least 24, optionally at least 25, optionally at least 50, optionally at least 75, optionally at least 100, optionally at least 125, optionally at least 150, optionally at least 175, optionally at least 200, optionally at least 300, optionally at least 400, optionally at least 500, optionally at least 600, optionally at least 700, optionally at least 800, optionally at least 900, optionally at least 1000, optionally at least 1100, optionally at least 1200, optionally at least 1300, optionally at least 1400).

[0274] Aspect 3h: The material, device, electrolyte, or method of Aspect 3, wherein y is greater than 0 and less than 1 (optionally less than or equal to 0.50, optionally less than or equal to 0.45, optionally less than or equal to 0.40, optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025).

[0275] Aspect 3i: The material, device, electrolyte, or method of Aspect 3, wherein y is greater than 0 and less than 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025).

[0276] Aspect 3j: The material, device, electrolyte, or method of Aspect 3, wherein the material or the composition thereof is a solid solution.

[0277] Aspect 3k: Any material or composition disclosed herein, such as any of those disclosed in Examples 1A and 1B, optionally further doped/substituted and/or optionally amorphized.

[0278] Aspect 3l: The material, device, electrolyte, or method of Aspect 3, wherein y is greater than 0 and less than 0.15.

[0279] Aspect 4: The material, device, electrolyte, or method of any preceding Aspect, having a greater ionic conductivity than that of an undoped stoichiometric Li.sub.3BS.sub.3 material by a factor of at least 2 (optionally at least 3, optionally at least 4, optionally at least 5, optionally at least 6, optionally at least 7, optionally at least 8, optionally at least 9, optionally at least 10, optionally at least 11, optionally at least 12, optionally at least 13, optionally at least 14, optionally at least 15, optionally at least 18, optionally at least 20, optionally at least 21, optionally at least 22, optionally at least 23, optionally at least 24, optionally at least 25, optionally at least 50, optionally at least 75, optionally at least 100, optionally at least 125, optionally at least 150, optionally at least 175, optionally at least 200, optionally at least 300, optionally at least 400, optionally at least 500, optionally at least 600, optionally at least 700, optionally at least 800, optionally at least 900, optionally at least 1000, optionally at least 1100, optionally at least 1200, optionally at least 1300, optionally at least 1400) at 25? C., wherein the undoped stoichiometric Li.sub.3BS.sub.3 material is free of Q and G.

[0280] Aspect 5a: The material, device, electrolyte, or method of any preceding Aspect being characterized by an ionic conductivity (such as average ionic conductivity) greater than 6.Math.10.sup.?6 S/cm (optionally greater than or equal to 7.Math.10.sup.?6 S/cm, optionally greater than or equal to 8.Math.10.sup.?6 S/cm, optionally greater than or equal to 9.Math.10.sup.?6 S/cm, optionally greater than or equal to 1.0.Math.10.sup.?5 S/cm, optionally greater than or equal to 1.2.Math.10.sup.?5 S/cm, optionally greater than or equal to 1.4.Math.10.sup.?5 S/cm, optionally greater than or equal to 1.5.Math.10.sup.?5 S/cm, optionally greater than or equal to 1.6.Math.10.sup.?5 S/cm, optionally greater than or equal to 1.9.Math.10.sup.?5 S/cm, optionally greater than or equal to 2.0.Math.10.sup.?5 S/cm, optionally greater than or equal to 2.5.Math.10.sup.?5 S/cm, optionally greater than or equal to 3.0.Math.10.sup.?5 S/cm, optionally greater than or equal to 3.5.Math.10.sup.?5 S/cm, optionally greater than or equal to 4.0.Math.10.sup.?5 S/cm, optionally greater than or equal to 4.5.Math.10.sup.?5 S/cm, optionally greater than or equal to 5.0.Math.10.sup.?5 S/cm, optionally greater than or equal to 5.5.Math.10.sup.?5 S/cm, optionally greater than or equal to 6.0.Math.10.sup.?5 S/cm, optionally greater than or equal to 6.5.Math.10.sup.?5 S/cm, optionally greater than or equal to 7.0.Math.10.sup.?5 S/cm, optionally greater than or equal to 7.5.Math.10.sup.?5 S/cm, optionally greater than or equal to 8.0.Math.10.sup.?5 S/cm, optionally greater than or equal to 8.5.Math.10.sup.?5 S/cm, optionally greater than or equal to 9.0.Math.10.sup.?5 S/cm, optionally greater than or equal to 9.5.Math.10.sup.?5 S/cm, optionally greater than or equal to 1.0.Math.10.sup.?4 S/cm, optionally greater than or equal to 1.2.Math.10.sup.?4 S/cm, optionally greater than or equal to 1.5.Math.10.sup.?4 S/cm, optionally greater than or equal to 1.7.Math.10.sup.?4 S/cm, optionally greater than or equal to 1.9.Math.10.sup.?4 S/cm, optionally greater than or equal to 2.0.Math.10.sup.?4 S/cm, optionally greater than or equal to 2.5.Math.10.sup.?4 S/cm, optionally greater than or equal to 3.0.Math.10.sup.?4 S/cm, optionally greater than or equal to 3.5.Math.10.sup.?4 S/cm, optionally greater than or equal to 4.0.Math.10.sup.?4 S/cm, optionally greater than or equal to 4.5.Math.10.sup.?4 S/cm, optionally greater than or equal to 5.0.Math.10.sup.?4 S/cm, optionally greater than or equal to 5.5.Math.10.sup.?4 S/cm, optionally greater than or equal to 6.0.Math.10.sup.?4 S/cm, optionally greater than or equal to 6.5.Math.10.sup.?4 S/cm, optionally greater than or equal to 7.0.Math.10.sup.?4 S/cm, optionally greater than or equal to 7.5.Math.10.sup.?4 S/cm, optionally greater than or equal to 8.0.Math.10.sup.?4 S/cm, optionally greater than or equal to 8.5.Math.10.sup.?4 S/cm, optionally greater than or equal to 9.0.Math.10.sup.?4 S/cm, optionally greater than or equal to 9.3.Math.10.sup.?4 S/cm, optionally greater than or equal to 9.5.Math.10.sup.?4 S/cm, optionally greater than or equal to 9.7.Math.10.sup.?4 S/cm, optionally greater than or equal to 1.0.Math.10.sup.?3 S/cm, optionally greater than or equal to 1.1.Math.10.sup.?3 S/cm, optionally greater than or equal to 1.2.Math.10.sup.?3 S/cm, optionally greater than or equal to 1.5.Math.10.sup.?3 S/cm, optionally greater than or equal to 1.6.Math.10.sup.?3 S/cm, optionally greater than or equal to 1.7.Math.10.sup.?3 S/cm, optionally greater than or equal to 1.8.Math.10.sup.?3 S/cm, optionally greater than or equal to 1.9.Math.10.sup.?3 S/cm, optionally greater than or equal to 2.0.Math.10.sup.?3 S/cm, optionally greater than or equal to 2.1.Math.10.sup.?3 S/cm, optionally greater than or equal to 2.2.Math.10.sup.?3 S/cm, optionally greater than or equal to 2.5.Math.10.sup.?3 S/cm, optionally greater than or equal to 2.7.Math.10.sup.?3 S/cm, optionally greater than or equal to 2.9.Math.10.sup.?3 S/cm, optionally greater than or equal to 3.0.Math.10.sup.?3 S/cm, optionally greater than or equal to 3.1.Math.10.sup.?3 S/cm) at 25? C. Aspect 5b: The material, device, electrolyte, or method of any preceding Aspect being characterized by an ionic conductivity (such as average ionic conductivity) selected from the range of 6.Math.10.sup.?6 S/cm to 5.Math.10.sup.?2 S/cm, and wherein any value and range of ionic conductivity therebetween is explicitly contemplated and disclosed herein. Aspect 5c: The material, device, electrolyte, or method of any preceding Aspect being characterized by an ionic conductivity (such as average ionic conductivity) selected from the range of 6.Math.10.sup.?6 S/cm to 1.Math.10.sup.?2 S/cm, optionally selected from the range of 1.Math.10.sup.?4 S/cm to 1.Math.10.sup.?2 S/cm, optionally selected from the range of 5.Math.10.sup.?4 S/cm to 1.Math.10.sup.?2 S/cm, optionally selected from the range of 1.Math.10.sup.?3 S/cm to 1.Math.10.sup.?2 S/cm.

[0281] Aspect 6a: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein the composition is characterized by the ratio Q/(B+Q) being greater than 0.001 and less than 0.20, and wherein any value and range therebetween is explicitly contemplated and disclosed herein. Aspect 6b: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein the composition is characterized by the ratio Q/(B+Q) being selected from the range of 0.01 to 0.20, optionally selected from the range of 0.02 to 0.20, optionally selected from the range of 0.01 to 0.15, optionally selected from the range of 0.01 to 0.12, optionally selected from the range of 0.02 to 0.10.

[0282] Aspect 8: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein the composition is characterized by the ratio Q/(B+Q) being greater than 0.020 and less than 0.075.

[0283] Aspect 9a: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein Q is one or more Group 14 elements and/or one or more metal elements such as transition metal elements. Aspect 9b: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein Q is one or more Group 14 elements. Aspect 9c: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein Q is one Group 14 element. Aspect 9d: The material, device, electrolyte, or method of any preceding Aspect, wherein Q is one or more metal elements, such as one or more transition metal elements.

[0284] Aspect 10a: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein Q is Si, Ge, Sn, and/or Zr. Aspect 10b: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein Q is Si and/or Ge. Aspect 10c: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein Q comprises Si. Aspect 10d: The material, device, electrolyte, or method of any preceding Aspect, except Aspect 3, wherein Q is Si.

[0285] Aspect 11a: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition is characterized by the ratio G/(S+G) being greater than 0.001 and less than 0.20, and wherein any value and range therebetween is explicitly contemplated and disclosed herein. Aspect 11b: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition is characterized by the ratio Q/(B+Q) being selected from the range of 0.01 to 0.20, optionally selected from the range of 0.02 to 0.20, optionally selected from the range of 0.01 to 0.15, optionally selected from the range of 0.01 to 0.12, optionally selected from the range of 0.02 to 0.10.

[0286] Aspect 12: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition is characterized by the ratio G/(S+G) being greater than 0.020 and less than 0.2, and wherein any value and range therebetween is explicitly contemplated and disclosed herein.

[0287] Aspect 13a: The material, device, electrolyte, or method of any preceding Aspect, wherein G is one or more Group 17 (halogen) elements. Aspect 13b: The material, device, electrolyte, or method of any preceding Aspect, wherein G is one Group 17 (halogen) element.

[0288] Aspect 14a: The material, device, electrolyte, or method of any preceding Aspect, wherein G is Cl and/or Br. Aspect 14b: The material, device, electrolyte, or method of any preceding Aspect, wherein G comprises Cl. Aspect 14c: The material, device, electrolyte, or method of any preceding Aspect, wherein G is Cl.

[0289] Aspect 15a: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition is characterized by formula FX2, FX3, or FX4:

Li.sub.3?x?yB.sub.1?x[Q].sub.xS.sub.3?y[G].sub.y(FX2);

Li.sub.3?xB.sub.1?x[Q].sub.xS.sub.3(FX3);

Li.sub.3?yB.sub.1S.sub.3?y[G].sub.y; wherein:(FX4) [0290] x is selected from the range of 0.005 (optionally 0.007, optionally 0.009, optionally 0.01, optionally 0.015, optionally 0.02, optionally 0.025, optionally 0.03, optionally 0.035, optionally 0.04, optionally 0.045, optionally 0.05, optionally 0.055, optionally 0.06) to 0.20 (optionally 0.19, optionally 0.18, optionally 0.17, optionally 0.16, optionally 0.15, optionally 0.14, optionally 0.13, optionally 0.12, optionally 0.11, optionally 0.10, optionally 0.09, optionally 0.08, optionally 0.07, optionally 0.06); and [0291] y is selected from the range of 0.005 (optionally 0.007, optionally 0.009, optionally 0.01, optionally 0.015, optionally 0.02, optionally 0.025, optionally 0.03, optionally 0.035, optionally 0.04, optionally 0.045, optionally 0.05, optionally 0.055, optionally 0.06) to 0.20 (optionally 0.19, optionally 0.18, optionally 0.17, optionally 0.16, optionally 0.15, optionally 0.14, optionally 0.13, optionally 0.12, optionally 0.11, optionally 0.10, optionally 0.09, optionally 0.08, optionally 0.07, optionally 0.06). Therefore, in Aspect 12, the variable z of claim 1 is equal to or approximately equal to x (in FX3), y (in FX4), or x+y (in FX2).

[0292] Aspect 15b: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition is characterized by formula FX3; and wherein x is greater than 0 and less than or equal to 0.05, y is 0, and z is equal to or approximately equal to x.

[0293] Aspect 16a: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition is characterized by formula FX3; and wherein x is greater than 0.025 (optionally greater than 0.03, optionally greater than 0.04) and less than or equal to 0.05 (optionally less than or equal to 0.06), y is 0, and z is equal to or approximately equal to x. Aspect 16b: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition is characterized by formula FX3; and wherein x is about 0.05, y is 0, and z is equal to or approximately equal to x.

[0294] Aspect 17a: The material, device, electrolyte, or method of any preceding Aspect, wherein the material or the composition thereof is amorphous or substantially amorphous. Aspect 17b: The material, device, electrolyte, or method of any preceding Aspect, wherein the material or the composition thereof is has a total crystallinity less than 50 wt. %. Aspect 17c: The material, device, electrolyte, or method of any preceding Aspect, wherein the material or the composition thereof is has a total crystallinity less than or equal to about 35 wt. %, optionally less than or equal to about 30 wt. %, optionally less than or equal to about 25 wt. %, optionally less than or equal to about 20 wt. %, optionally less than or equal to about 15 wt. %, optionally equal to or less than about 10 wt. %, optionally equal to or less than about 8 wt. %, optionally equal to or less than about 5 wt. %, optionally equal to or less than about 4 wt. %, optionally equal to or less than about 3 wt. %, optionally equal to or less than about 2 wt. %, optionally equal to or less than about 1 wt. %, optionally equal to or less than about 0.8 wt. %, optionally equal to or less than about 0.5 wt. %, optionally equal to or less than about 0.2 wt. %, optionally equal to or less than about 0.1 wt. %, optionally equal to or less than about 0.08 wt. %, optionally equal to or less than about 0.05 wt. %, optionally equal to or less than about 0.01 wt. %.

[0295] Aspect 18: The material, device, electrolyte, or method of any preceding Aspect, being characterized by an ionic conductivity greater than or equal to 1.Math.10.sup.?5 S/cm at 25? C.

[0296] Aspect 19: The material, device, electrolyte, or method of any preceding Aspect, being characterized by an ionic conductivity greater than or equal to 1.Math.10.sup.?3 S/cm at 25? C.

[0297] Aspect 20: The material, device, electrolyte, or method of any preceding Aspect, being characterized by an ionic conductivity selected from the range of 1.Math.10.sup.?5 S/cm to 1.Math.10.sup.?2 at 25? C.

[0298] Aspect 21: The material, device, electrolyte, or method of any preceding Aspect, being characterized by an electronic conductivity less than 5.Math.10.sup.?10 S/cm (optionally less than or equal to about 4.8.Math.10.sup.?10 S/cm, optionally less than or equal to about 4.5.Math.10.sup.?10 S/cm, optionally less than or equal to about 4.3.Math.10.sup.?10 S/cm, optionally less than or equal to about 4.1.Math.10.sup.?10 S/cm, optionally less than or equal to about 4.0.Math.10.sup.?10 S/cm, optionally less than or equal to about 3.8.Math.10.sup.?10 S/cm, optionally less than or equal to about 3.5.Math.10.sup.?10 S/cm, optionally less than or equal to about 3.2.Math.10.sup.?10 S/cm, optionally less than or equal to about 3.0.Math.10.sup.?10 S/cm, optionally less than or equal to about 2.0.Math.10.sup.?10 S/cm, optionally less than or equal to about 1.0.Math.10.sup.?10 S/cm) at 25? C.

[0299] Aspect 22: The material, device, electrolyte, or method of any preceding Aspect, being characterized by an activation energy (E.sub.a) for an ionic conductivity of less than or equal to about 500 meV (optionally less than or equal to about 475 meV, optionally less than or equal to about 450 meV, optionally less than or equal to about 425 meV, optionally less than or equal to about 400 meV, optionally less than or equal to about 375 meV, optionally less than or equal to about 350 meV, optionally less than or equal to about 325 meV, optionally less than or equal to about 300 meV, optionally less than or equal to about 275 meV, optionally less than or equal to about 250 meV, optionally less than or equal to about 225 meV, optionally less than or equal to about 200 meV, optionally less than or equal to about 175 meV) when its temperature-dependent ionic conductivity is fit to equation EQ1:

[00001]$\begin{array}{cc}?=\frac{{?}_0}{T}{e}^{\frac{-E_a}{k_{B}T}};& \left(\mathrm{EQ1}\right)\end{array}$

wherein: [0300] ? is the ionic conductivity; [0301] ?.sub.0 is a conductivity prefactor; [0302] T is temperature; [0303] k.sub.B is the Boltzmann's constant; and [0304] E.sub.a is the activation energy for ionic conductivity.

[0305] Aspect 23: The material, device, electrolyte, or method of any preceding Aspect, wherein charge carriers of the material are monovalent.

[0306] Aspect 24: A device comprising the material of any of the preceding Aspects.

[0307] Aspect 25: The device of Aspect 24 being an electrochemical cell.

[0308] Aspect 26: The device of Aspect 25, being a rechargeable lithium battery.

[0309] Aspect 27: The device of Aspect 25 or 26 having a solid state electrolyte comprising the material of any one of the preceding claims.

[0310] Aspect 28: The device of Aspect 25, 26, or 27 having a coating on a Li anode, the coating comprising the material of any one of the preceding claims.

[0311] Aspect 29: A device comprising: [0312] a material, the material comprising: [0313] a lithium thioborate composition characterized by formula FX1:

Li.sub.3?z[B+Q].sub.1[S+G].sub.3(FX1); [0314] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0315] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0316] wherein z is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0317] wherein the composition comprises only the first dopant, only the second dopant, or both the first dopant and the second dopant.

[0318] Aspect 26: A device comprising: [0319] a material, the material comprising: [0320] a lithium thioborate composition characterized by formula FX2:

Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); [0321] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0322] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0323] wherein x is a number greater than 0 and less than or equal to 0.10 (optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); [0324] wherein y is a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0325] wherein G is one or more Group 17 (halogen) elements.

[0326] Aspect 27: A device comprising: [0327] a material, the material comprising: [0328] a lithium thioborate composition characterized by formula FX4:

Li.sub.3?yBS.sub.3?yG.sub.y(FX4); [0329] wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0330] wherein y is a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0331] wherein G is one or more Group 17 (halogen) elements.

[0332] Aspect 28: The device of Aspect 25, 26, or 27 being an electrochemical cell.

[0333] Aspect 29: The device of Aspect 28, wherein the electrochemical cell comprises a solid state electrolyte having the material.

[0334] Aspect 30: The device of Aspect 28 or 29, being a rechargeable lithium battery.

[0335] Aspect 31: A solid state electrolyte comprising: [0336] a lithium thioborate composition characterized by formula FX1:

Li.sub.3?z[B+Q].sub.1[S+G].sub.3(FX1); [0337] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0338] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0339] wherein z is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0340] wherein the composition comprises only the first dopant, only the second dopant, or both the first dopant and the second dopant.

[0341] Aspect 32: A solid state electrolyte comprising: [0342] a lithium thioborate composition characterized by formula FX2:

Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); [0343] wherein Q is a first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0344] wherein G is a second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0345] wherein x is a number greater than 0 and less than or equal to 0.10 (optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); [0346] wherein y is a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0347] wherein G is one or more Group 17 (halogen) elements.

[0348] Aspect 33: A solid state electrolyte comprising: [0349] a lithium thioborate composition characterized by formula FX4:

Li.sub.3?yBS.sub.3?yG.sub.y(FX4); [0350] wherein G is a dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0351] wherein y is a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0352] wherein G is one or more Group 17 (halogen) elements.

[0353] Aspect 34: A method of making a material, the method comprising: [0354] combining a plurality of precursors comprising lithium, boron, sulfur, and at least one of a first dopant and a second dopant; and [0355] heating the combined plurality of precursors to form the material having a lithium thioborate composition; [0356] wherein the lithium thioborate composition is characterized by formula FX1:

Li.sub.3?z[B+Q].sub.1[S+G].sub.3(FX1); [0357] wherein Q is the first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0358] wherein G is the second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0359] wherein z is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0360] wherein the composition comprises only the first dopant, only the second dopant, or both the first dopant and the second dopant.

[0361] Aspect 35: A method of making a material, the method comprising: [0362] combining a plurality of precursors comprising lithium, boron, sulfur, a first dopant, and a second dopant; and [0363] heating the combined plurality of precursors to form the material having a lithium thioborate composition; [0364] wherein the lithium thioborate composition is characterized by formula FX2:

Li.sub.3?x?yB.sub.1?xQ.sub.xS.sub.3?yG.sub.y(FX2); [0365] wherein Q is the first dopant being a substitute for B in the composition and being one or more elements each aliovalent with respect to B; [0366] wherein G is the second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0367] wherein x is a number greater than 0 and less than or equal to 0.10 (optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); [0368] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0369] wherein G is one or more Group 17 (halogen) elements.

[0370] Aspect 36: A method of making a material, the method comprising: [0371] combining a plurality of precursors comprising lithium, boron, sulfur, a first dopant, and a second dopant; and [0372] heating the combined plurality of precursors to form the material having a lithium thioborate composition; [0373] wherein the lithium thioborate composition is characterized by formula FX4:

Li.sub.3?yBS.sub.3?yG.sub.y(FX4); [0374] wherein G is the second dopant being a substitute for S in the composition and being one or more elements each aliovalent with respect to S; [0375] wherein y is 0 or a number greater than 0 and less than or equal to 0.40 (optionally less than or equal to 0.35, optionally less than or equal to 0.30, optionally less than or equal to 0.25, optionally less than or equal to 0.20, optionally less than or equal to 0.18, optionally less than or equal to 0.16, optionally less than or equal to 0.15, optionally less than or equal to 0.13, optionally less than or equal to 0.11, optionally less than or equal to 0.10, optionally less than or equal to 0.09, optionally less than or equal to 0.08, optionally less than or equal to 0.07, optionally less than or equal to 0.06, optionally less than or equal to 0.05, optionally less than or equal to 0.04, optionally less than or equal to 0.03, optionally less than or equal to 0.025); and [0376] wherein G is one or more Group 17 (halogen) elements

[0377] Aspect 37: The method of Aspect 34, 35 or 36 further comprising amorphizing the material to increase its ionic conductivity.

[0378] Aspect 38a: The method of Aspect 37, wherein the step of amorphizing comprises reducing grain sizes of the lithium thioborate composition, increasing amorphous content of the lithium thioborate composition, decreasing a total crystallinity of the lithium thioborate composition, and/or increasing a concentration of defects in the lithium thioborate composition. Aspect 38b: The method of Aspect 37, wherein the step of amorphizing comprises increasing amorphous content of the lithium thioborate composition and decreasing a total crystallinity of the lithium thioborate composition.

[0379] Aspect 39: The method of any of Aspects 34-38, wherein the plurality of precursors comprises a lithium-containing precursor, a boron-containing precursor, and a sulfur-containing precursor.

[0380] Aspect 40: The method of any of Aspects 34-39, wherein the step of combining comprises mixing and/or milling.

[0381] Aspect 41: The method of any of Aspects 34-40, wherein the step of heating comprises melting the plurality of precursors at a temperature less than 1500? C. (optionally less than or equal to 1400? C., optionally less than or equal to 1300? C., optionally less than or equal to 1200? C., optionally less than or equal to 1100? C., optionally less than or equal to 1000? C., optionally less than or equal to 975? C., optionally less than or equal to 950? C., optionally less than or equal to 900? C., optionally less than or equal to 875? C., optionally less than or equal to 850? C., optionally less than or equal to 825? C., optionally less than or equal to 800? C.) to form a melt comprising lithium, boron, sulfur, and at least of the first dopant and the second dopant.

[0382] Aspect 42: The method of Aspect 41, wherein the step of heating further comprises cooling the melt thereby forming the material as a solid.

[0383] Aspect 43: An electrolyte comprising: [0384] a lithium solid state electrolyte comprising Li, one or more principal elements (optionally, non-Li principal elements), and at least one dopant; [0385] wherein the dopant substitutes for a portion of the one of the one or more principal elements (optionally, non-Li principal elements) of the lithium solid state electrolyte and is aliovalent with the respective substituted principal elements (optionally, non-Li principal elements); [0386] wherein the ionic conductivity of the lithium solid state electrolyte is greater than or equal to 1.Math.10.sup.?5 S/cm (optionally selected from the range of 1.Math.10.sup.?5 S/cm to 5.Math.10.sup.?2 S/cm) at 25? C.

[0387] Aspect 44: The electrolyte of Aspect 37, wherein the lithium solid state electrolyte is obtained from doping (or forming a doped or substituted variation of) a material characterized by formula FX5, FX6, FX7, FX8, FX9, FX10, FX11, FX12, or FX13:

Li.sub.3VS.sub.4(FX5);

Na.sub.3Li.sub.3Al.sub.2F.sub.12(FX6);

Li.sub.2Te(FX7);

LiAlTe.sub.2(FX8);

LiInTe.sub.2(FX9);

Li.sub.6MnS.sub.4(FX10);

LiGaTe.sub.2(FX11);

KLi.sub.6TaO.sub.6; or(FX12)

Li.sub.3CuS.sub.2(FX13).

[0388] Aspect 45: A doped lithium solid state electrolyte comprising: [0389] a doped inorganic composition having at least one dopant; [0390] wherein the doped composition has up to 20 at. % (optionally up to 15 at. %, optionally up to 12 at. %, optionally up to 10 at. %, optionally up to 8 at. %, optionally up to 5 at. %, optionally up to 3 at. %, optionally up to 2 at. %, optionally up to 1 at. %, optionally up to 0.9 at. %, optionally up to 0.8 at. %, optionally up to 0.7 at. %, optionally up to 0.5 at. %) of one or more principal elements (optionally, non-Li principal elements) substituted with the at least one dopant relative to a reference composition of a reference lithium solid state electrolyte; [0391] wherein each dopant is one or more elements each aliovalent with the respective substituted principal element (optionally, a non-Li principal element); [0392] wherein the presence of the one or more dopants provides for an ionic conductivity greater than or equal to 11-1 S/cm at 25? C.

[0393] Aspect 46: The material of Aspect 45, wherein the doped inorganic composition has up to 10 at. % of each of the one or more principal element (optionally, a non-Li principal element) substituted with a respective dopant.

[0394] Aspect 47: The method of Aspect 45 or 46, wherein the doped composition has up to 10 at. % of a cationic principal element, such as B, (optionally, a non-Li principal element) substituted with a first dopant, the first dopant being one or more elements each aliovalent with respect to said cationic principal element (optionally, a non-Li principal element).

[0395] Aspect 48: The method of any of Aspects 45-47, wherein the doped composition has up to 10 at. % of an anionic principal element, such as S, (optionally, a non-Li principal element) substituted with a second dopant, the second dopant being one or more elements each aliovalent with respect to said anionic principal element (optionally, a non-Li principal element).

[0396] Aspect 49: The material of any of Aspects 45-48, wherein the presence of the one or more dopants provides for the doped lithium solid state electrolyte having an ionic conductivity greater than that of the reference lithium solid state electrolyte by a factor of at least 2 (optionally at least 3, optionally at least 4, optionally at least 5, optionally at least 6, optionally at least 7, optionally at least 8, optionally at least 9, optionally at least 10, optionally at least 11, optionally at least 12, optionally at least 13, optionally at least 14, optionally at least 15, optionally at least 18, optionally at least 20, optionally at least 21, optionally at least 22, optionally at least 23, optionally at least 24, optionally at least 25, optionally at least 50, optionally at least 75, optionally at least 100, optionally at least 125, optionally at least 150, optionally at least 175, optionally at least 200, optionally at least 300, optionally at least 400, optionally at least 500, optionally at least 600, optionally at least 700, optionally at least 800, optionally at least 900, optionally at least 1000, optionally at least 1100, optionally at least 1200, optionally at least 1300, optionally at least 1400).

[0397] Aspect 50: The material of any of Aspects 45-49, wherein the reference composition is characterized by formula FX5, FX6, FX7, FX8, FX9, FX10, FX11, FX12, or FX13:

Li.sub.3VS.sub.4(FX5);

Na.sub.3Li.sub.3Al.sub.2F.sub.12(FX6);

Li.sub.2Te(FX7);

LiAlTe.sub.2(FX8);

LiInTe.sub.2(FX9);

Li.sub.6MnS.sub.4(FX10);

LiGaTe.sub.2(FX11);

KLi.sub.6TaO.sub.6(FX12); or

Li.sub.3CuS.sub.2(FX13).

[0398] Aspect 51: A method for increasing an ionic conductivity of a reference lithium solid state electrolyte, the method comprising: [0399] forming a doped lithium solid state electrolyte having a doped composition; [0400] wherein the reference lithium solid state electrolyte has a reference composition, and wherein the doped composition has up to 20 at. % (optionally up to 15 at. %, optionally up to 12 at. %, optionally up to 10 at. %, optionally up to 8 at. %, optionally up to 5 at. %, optionally up to 3 at. %, optionally up to 2 at. %, optionally up to 1 at. %, optionally up to 0.9 at. %, optionally up to 0.8 at. %, optionally up to 0.7 at. %, optionally up to 0.5 at. %) of one or more principal elements (optionally, non-Li principal elements) substituted with at least one dopant relative to the reference composition; [0401] wherein each element of the at least one dopant is aliovalent with respect to the respective substituted principal element (optionally, a non-Li principal element); and [0402] wherein the doped lithium solid state electrolyte has a greater ionic conductivity than the reference lithium solid state electrolyte by a factor of at least 2 (optionally at least 3, optionally at least 4, optionally at least 5, optionally at least 6, optionally at least 7, optionally at least 8, optionally at least 9, optionally at least 10, optionally at least 11, optionally at least 12, optionally at least 13, optionally at least 14, optionally at least 15, optionally at least 18, optionally at least 20, optionally at least 21, optionally at least 22, optionally at least 23, optionally at least 24, optionally at least 25, optionally at least 50, optionally at least 75, optionally at least 100, optionally at least 125, optionally at least 150, optionally at least 175, optionally at least 200, optionally at least 300, optionally at least 400, optionally at least 500, optionally at least 600, optionally at least 700, optionally at least 800, optionally at least 900, optionally at least 1000, optionally at least 1100, optionally at least 1200, optionally at least 1300, optionally at least 1400).

[0403] Aspect 52: The method of Aspect 51, wherein the doped composition has up to 10 at. % of a cationic principal element (optionally, a non-Li principal element) substituted with a first dopant, the first dopant being one or more elements each aliovalent with respect to said cationic principal element (optionally, a non-Li principal element).

[0404] Aspect 53: The method of Aspect 51 or 52, wherein the doped composition has up to 10 at. % of an anionic principal element (optionally, a non-Li principal element) substituted with a second dopant, the second dopant being one or more elements each aliovalent with respect to said anionic principal element (optionally, a non-Li principal element).

[0405] Aspect 54: The method of any of Aspects 51-53, wherein the step of forming comprises amorphizing the material to increase its ionic conductivity.

[0406] Aspect 55a: The method of Aspect 54, wherein the step of amorphizing comprises reducing grain sizes of the lithium thioborate composition, increasing amorphous content of the lithium thioborate composition, and/or increasing a concentration of defects in the lithium thioborate composition. Aspect 55b: The method of Aspect 54, wherein the step of amorphizing comprises increasing amorphous content of the lithium thioborate composition and decreasing a total crystallinity of the lithium thioborate composition.

[0407] Aspect 56: The method of any of Aspects 51-55, wherein the reference lithium solid state electrolyte and the doped lithium solid state electrolyte are inorganic materials.

[0408] Aspect 57a: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition is further doped with the O (oxygen) such that the lithium borate composition further comprises O. Aspect 57b: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition is further doped with the O (oxygen) such that the lithium borate composition further comprises O being greater than 0 at. % but less than 0.3 at. % O, optionally less than 0.2 at. % O, optionally less than or equal to 0.1 at. % O, optionally less than or equal to 0.08 at. % O, optionally less than or equal to 0.06 at. % O, optionally less than or equal to 0.05 at. % O, optionally less than or equal to 0.03 at. % O, optionally less than or equal to 0.02 at. % O, optionally less than or equal to 0.01 at. % O).

[0409] Aspect 58a: The material, device, electrolyte, or method of any preceding Aspect other than Aspect 57, wherein the composition is free of O (oxygen) such that the content of O is less than that measurable (e.g., below noise/background level) by techniques known in the art. Aspect 58b: The material, device, electrolyte, or method of any preceding Aspect other than Aspect 57, wherein the composition is free of O (oxygen) or the content of O is less than 0.01 at. %, optionally less than 0.009 at. %.

[0410] Aspect 59: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition comprises both ionic and covalent bonding. Optionally, for example, assuming the LiS correlations are ionic and the B-S correlations are covalent, the composition may have about 80% ionic bonding and about 20% covalent bonding.

[0411] Aspect 60: The material, device, electrolyte, or method of any preceding Aspect, wherein the composition comprises a vacancy defect concentration about equal to z (where z is approximately x+y).

[0412] The invention can be further understood by the following non-limiting examples.

[0413] Overview of Examples 1-3: Despite ongoing efforts to identify high-performance electrolytes for solid-state Li-ion batteries, thousands of prospective Li-containing structures remain unexplored. Here, we employ a semi-supervised learning approach to expedite identification of superionic conductors. We screen 180 unique descriptor representations and use agglomerative clustering to cluster ?26,000 Li-containing structures. The clusters are then labeled with experimental ionic conductivity data to assess the fitness of the descriptors. By inspecting clusters containing the highest conductivity labels, we identify 212 promising structures that are further screened using bond valence site energy and nudged elastic band calculations. Li.sub.3BS.sub.3 is identified as a potential high-conductivity material and selected for experimental characterization. With sufficient defect engineering, we show that Li.sub.3BS.sub.3 is a superionic conductor with room temperature ionic conductivity greater than 1 mS cm.sup.?1. While the semi-supervised method shows promise for identification of superionic conductors, the results illustrate a continued need for descriptors that explicitly encode for defects.

Example 1A: Semi-Supervised Machine Learning Approach for Identification of Candidate Solid State Li-Ion Conductors or Lithium Solid State Electrolytes

[0414] Identifying new materials that could improve solid-state ion battery prospects is an ongoing challenge. The search for an ideal solid-state Li electrolyte is a prime example. Research has focused on eight classes of materials: LISICON-type structures, argyrodites, garnets, NASICON-type structures, Li-nitrides, Li-hydrides, perovskites, and Li-halides.sup.1. However, only three compounds with near-liquid-electrolyte conductivity (?10.sup.?2 S cm.sup.?1) have been discovered: Li.sub.10GeP.sub.2S.sub.12 (LGPS).sup.2, Li.sub.6PS.sub.5Br argyrodite.sup.3, and Li.sub.7P.sub.3S.sub.11 ceramic-glassi,.sup.4. Although promising discoveries, all three high-conductivity structures are unstable against the Li anode.sup.5-10. While investigations to limit instability are ongoing.sup.11,12, identification of additional superionic structures is desirable. Discovery of new structures that support superionic conductivity improves the odds of identifying or engineering a stable electrode|SSE interface. For example, engineering solutions that fail to stabilize the Li|argyrodite interface may prove more successful when applied to not-yet-discovered superionic conductors. Discovery of new superionic conductors may also enable stable architectures via multi-electrolyte approaches which have been proposed as more promising than single-electrolyte architectures for achieving stability against Li metal and cathode materials.sup.13. High-performing structures that enable new battery chemistries may exist outside of the eight classes. However, exploration under the traditional Edisonian approach prioritizes small perturbations to well-known variable spaces.

[0415] Machine learning (ML) is a promising tool for expediting the discovery of useful solid-state materials. By describing prospective materials with physically meaningful descriptors, ML models can identify high-dimensional patterns in large datasets that are not readily apparent.sup.14-20. Ongoing descriptor engineering.sup.21-26 has enabled discovery of battery components.sup.27,28, electrocatalysts.sup.15,29, photovoltaic components.sup.16,30, piezoelectrics.sup.31, new metallic glasses.sup.14 and new alloys.sup.32. However, application of ML for discovery of SSEs and other emerging technologies can be challenging. Supervised ML approaches require empirical data for use as labels. For example, graph neural network (GNN) approaches have been successful in many domains but generally require thousands to tens of thousands of labels to avoid overfitting.sup.33. By contrast, relatively few SSEs have been experimentally characterized compared to the ?26,000 known Li-containing structures.sup.19,34-36. Characterized materials often exhibit ill-defined properties owing to the variety of synthetic approaches and non-standardized testing methods.sup.37. Well-performing materials often contain charge-carrying defects that are not explicitly characterized or reporteda.sup.38. Negative examples, i.e. materials with undesirable properties, are useful for ML models but are seldom reported.

[0416] Semi-supervised ML can guide synthetic prioritization of SSEs by overcoming the issues associated with label scarcity. Supervised ML requires labels because it infers correlation functions by mapping the input descriptors to the labels.sup.39. Semi-supervised ML prioritizes comparison of descriptors to identify relationships between the descriptors in a dataset.sup.36,39. The input compositions are clustered (or grouped) by comparison of descriptors using a similarity metric. The clustering process does not consider labels, and thus circumvents the need for abundant labels. The resultant clusters can be labeled ex post facto to examine correlation between the descriptor and a physical property of interest. For semi-supervised ML, ideal descriptors result in a set of clusters where each cluster has similar labels and thus the label variance is minimized. Promising synthetic targets may then be identified by their membership in clusters that contain desirable labels.

[0417] A key insight of this work is that semi-supervised ML can be used to rank descriptors in terms of their correlation to physical properties of interest. Descriptors are representations of the input materials that encode the chemistry, composition, structure, and/or other system properties. An ideal descriptor should be a unique representation, a continuous function of the structure, exhibit rotational/translational invariance, and be readily comparable across all structures in the dataset.sup.24-26. Recently, Zhang et al. demonstrated that a modified X-Ray diffraction (mXRD) descriptor lead to favorable clustering for Li SSEs.sup.34. By labeling the resultant clusters with experimental room-temperature Li-ion conductivities, they identified 16 prospective fast-ion conductors. However, an ideal descriptor is not known a priori, and no comprehensive descriptor screening has yet been pursued for correlation with SSE properties. Descriptor screening is desirable for both experimentalists and computationalists. For experimentalists, ranking of descriptors affords insight into what aspects of materials are most correlated with target properties. For computationalists, descriptors rankings enable improved regression and supervised learning models by guiding the selection of input representation(s). Descriptor transformations for inorganic structures have been curated in a variety of software packages, including: Matminer.sup.24, Dscribe.sup.25, SchNet.sup.40, and Aenet.sup.41.

[0418] Herein, we employ hierarchical agglomerative clustering to screen many descriptors, without assuming correlation to ionic conductivity. The performance of 20 descriptors is assessed for semi-supervised identification of Li SSEs. Each descriptor is paired with 9 structural simplification strategies, yielding a total of 180 unique representations per input structure. The approach is applied to a dataset of ?26,000 Li-containing phases, encompassing all Li-containing structures contained in the Inorganic Crystal Structure Database (ICSDv.4.4.0) and the Materials Project (MPv.2020.09.08) database (FIG. 1). A set of 220 experimental room temperature ionic conductivities (?.sub.25? C.) are aggregated from literature reports and used as labels. Experimental labels are selected because they may bias models towards identifying structures that are synthetically tractable and processable. Descriptors that encode the spatial environment are found to be most correlated with the ionic conductivity labels. Whereas descriptors that encode the electronic, compositional, or bonding environment have less predictive power. For the structural descriptors, simplifications that neglect the mobile ion perform best. The descriptor screening results suggest that ionic conductivity is most sensitive to the spatial environment of the framework lattice.

[0419] Using the descriptors, the semi-supervised approach can identify potential fast solid-state Li-ion conductors. By selecting structures in clusters containing high conductivity labels, the ?26,000 input structures are down selected to just 212 promising structures. Practical considerations, a semi-empirical bond valence site energy (BVSE) method,.sup.42 and the Nudged Elastic Band (NEB) method are employed to rank the structures. From the ten highest ranking structures, Li.sub.3BS.sub.3 is selected for model validation. Synthesis of pure Li.sub.3BS.sub.3 yields a poor conductor. However, by employing defect engineering strategies we demonstrate that Li.sub.3BS.sub.3 is a superionic conductor with an ionic conductivity greater than 10.sup.?3 S cm.sup.?1.

Screening Simplification-Descriptor Combinations:

[0420] A set of 20 descriptors is selected for screening the semi-supervised learning approach (Table 1). The descriptors generally encode four types of information: the spatial environment, the chemical bonding environment, the electronic environment, and composition. All descriptors are implemented in Python using the Matminer.sup.24 or Dscribe.sup.25 libraries. The code is published to a github repository and is available for download (https://github.com/FALL-ML/materials-discovery). Zhang et al. illustrated that structure simplification prior to learning can produce lower variance outcomes.sup.34. Their mXRD descriptor was found to work best with removal of all cations, all the anions replaced by a single representative anion, and the structure volume scaled to 40 ?.sup.3 per anion. Inspired by the previous success in using structure simplification, we screen eight structure simplifications in addition to the unperturbed structure. For simplifications the following categories of atoms are replaced with a representative specie: (1) Cations are represented as Al, (2) Anions are represented as S, (3) Mobile ions are represented as Li, and (4) Neutral atoms are represented as Mg. Categories of atom are removed as to yield the four simplifications: CAMN (all atoms retained), CAN (mobile ions removed), AM (cations and neutral atoms removed), and A (only anions retained). Four additional simplifications are formed by scaling each lattice volume to 40 ?.sup.3 per anion: CAMN-40, CAN-40, AM-40, and A-40.

TABLE-US-00001 TABLE 1 The descriptors used for agglomerative clustering. Descriptor vectors are attained by simplifying the input structures and then applying the descriptor transformation. In total, 180 unique descriptor vectors are screened for each structure. Descriptor Descriptor Description Refs Bond Fraction Bag of bonds approach described in Hansen et. al. wherein 43 pairwise nuclear charges and distances are encoded. Band Center Estimation of band center from constituent atoms' 44 electronegativity values described by Butler et al. Crystal Structure Analysis by Calculation of the largest sphere that can pass through the 45 Voronoi Decomposition lattice-sans-mobile-ion using Voronoi decomposition of (CAVD) structures. Chemical Ordering Warren-Cowley-like ordering method to determine how different 46 the structure's ordering is from random. Density Features Calculates density, volume per atom, and the packing fraction. 47 Electronegativity Difference Composition weighted calculation of the electronegativity 48 difference between cations and anions. Ewald Energy Sum of coulomb interaction energies across all lattice sites 49 described by Ewald et al. Global Instability Index Averaged square root of the sum of squared differences over the bond valence sums. Jarvis Diverse set of descriptors from the Jarvis-ML library. 50 Maximum Packing Efficiency A measure of the void space within the unit cell. 46 Meredig Composite descriptor from Meredig et al. 51 Modified XRD (mXRD) Powder diffraction pattern calculated using Bragg's law. 47 Orbital Field Matrix Descriptor that encodes the distribution of valence shell 52 electrons for each input structure. Oxidation States Concentration weighted oxidation state statistics. 48 Radial Distribution Function Radial distribution function for each structure. 47 Sine Coulomb Matrix Coulomb matrix for periodic lattices, developed by Faber et al. 53,54 Smooth Overlap of Atomic Geometric encoder that is rotationally/transitionally invariant 25 Positions (SOAP) through use of spherical harmonics and radial basis functions. Atoms are represented by a smeared gaussian. Structural Complexity The Shannon information entropy for a given structure. 55 Structure Variance Bond length and atomic volume variance for each structure. 46 Valence Orbital Structure averaged number of valence electrons in each orbital. 48,56 Control A control descriptor is not explicitly used. Instead, clustering outcomes are randomly assigned. For composite intracluster variance calculations, 100 control iterations are averaged.

[0421] Agglomerative clustering is performed on all Li-containing structures from the ICSD and MP repositories. Agglomerative clustering is a bottom-up approach to clustering where each structure starts in its own cluster of one. Clusters are merged according to Ward's Minimum Variance criterion in Euclidean space, which minimizes the global descriptor variance.sup.57:

[00002]$W=\underset{k=1}{\overset{n_C}{.Math.}}\underset{i?C_k}{.Math.}{\left[d_i-{\stackrel{\_}{d}}_k\right]}^2$ [0422] where n.sub.c is the number of clusters in a set, C.sub.k is cluster k, d.sub.i is a descriptor representation for structure i, and d.sub.k is the average descriptor representation in cluster k. Each cluster merger results in the lowest variance set of clusters, relative to all other possible mergers. Other common linkage criteria (average, complete, and single linkages) and metrics (I1, I2, manhatten, cosine) were screened but are found to result in clustering outcomes with larger W. For each simplification-descriptor combination, all clustering sets from 2-300 are computed. Physically relevant labels are applied to the resultant clustering sets to assess how well each simplification-descriptor combination performs. To compare between the 180 different simplification-descriptions combinations, the data is labeled with 155 experimental room temperature conductivity (?.sub.RT) values aggregated from the literature reports (see Example 1B: sections I-IV). A secondary label set is also screened, comprised of 6845 activation energies (E.sub.a) computationally generated using a bond valence energy approach (see Example 1B: section V).

[0423] An ideal simplification-descriptor combination results in clustering where each cluster contains labels with similar ?.sub.RT values. Ward's minimum variance method is applied to the conductivity labels as a measure of clustering efficacy:.sup.34

[00003]$W_{?}=\underset{k=1}{\overset{n_c}{.Math.}}\underset{i?C_k}{.Math.}{\left[{\log \left({?}_{\mathrm{RT}}\right)}_i-{\stackrel{\_}{\log \left({?}_{\mathrm{RT}}\right)}}_k\right]}^2$ [0424] where n.sub.c is the number of clusters in a set, C.sub.k is cluster k, and log(?.sub.RT).sub.k denotes the mean for all labels in cluster k. Since clusters containing only one label effectively drop out of the W.sub.? calculation, a frozen-state strategy is employed when needed (see Example 1B: section IV). Each descriptor's W.sub.? results are shown in FIG. 2 for the first 50 clustering outcomes (i.e. the W.sub.? is shown for each set of 2, 3, . . . , 49, and 50 clusters). For simplicity, only the best-performing simplification-descriptor combination is shown for each descriptor.

[0425] Using ?.sub.25? C. labels, the best semi-supervised ML performance is attained when using the SOAP descriptor. SOAP is a spatial descriptor that employs smeared gaussians to represent atomic positions for each crystal structure.sup.25. Predictions using the SOAP descriptor have exhibited similar performance to state-of-the-art graph neural networks (GCNs) on a variety of materials science datasets.sup.58. Optimization of SOAP hyper-parameters (radial cutoff, number of radial basis functions, degree of spherical harmonics) is explored in section VI of the supplemental information. SOAP is found to perform best when combined with the CAN structure simplification. That is, the simplification where the mobile Li atoms are removed, and the remaining atoms are simplified into three representative species: cations, anions, and neutral atoms. SOAP outperforms all other descriptors for all depths of clustering. The SOAP descriptor can be modestly improved (2-3% decrease in W.sub.?) by mixing with other descriptors to make a 2.sup.nd order SOAP descriptor (see Example 1B: section VI).

Semi-Supervised Identification of Prospective Li-Ion Conductors:

[0426] Agglomerative clustering with the 2.sup.nd order SOAP descriptor is used to identify prospective ionic conductors. W.sub.? minimization is prioritized over W.sub.Ea minimization because E.sub.a alone is not necessarily a good predictor of conductivity; ?.sub.25? C. may be affected by properties including the ionic carrier concentration, hopping attempt frequency, and the presence of concerted migration modes.sup.59. The agglomerative dendrogram for the 2.sup.nd order SOAP is shown in FIG. 3, with the label densities plotted below. The agglomerative dendrogram is depicted to 241 clusters, after which the W.sub.? does not appreciably decrease. To facilitate discussion, an arbitrary cutoff is placed to yield 9 large clusters. The results show that although cluster #2 contains only 15% of the input structures, it accounts for over half of the high-conductivity (?.sub.25? C.>10.sup.?5 S cm.sup.?1) labels. By the 17.sup.th clustering step, the densest cluster accounts for 6.2% of the structures while containing over half (52%) of the high-conductivity labels.

[0427] Candidates for next-generation SSEs can be identified by evaluating clusters that either contain or are near high conductivity labels. Clusters #2, #4, and #7 are promising because they account for 85% of the high ?.sub.25? C. labels. However, targeting these clusters would necessitate screening thousands of structures. Instead, we search from the 241.sup.st cluster depth, targeting all clusters that contain or are directly adjacent (i.e. the nearest cluster in the Euclidean feature space) to high ?.sub.25? C. labels. The promising structures are further screened using calculated stability (E vs. E.sub.hull) and band gap (E.sub.g) properties from the Materials Project, and the BVSE E.sub.a values. We select the structures that have (1) an E.sub.hull of 70 meV or lower,.sup.60 (2) an E.sub.g of at least 1 eV, and (3) a BVSE-calculated E.sub.a below a conservative 0.6 eV. We note that while a true E.sub.g value of 1 eV would be problematic for an SSE, the bandgaps reported on Materials Project are typically underestimated by about 40%.sup.61. The approach identifies 212 structures as prospective ionic conductors. Climbing image nudged elastic band (CI-NEB) is employed to calculate the E.sub.a for Li-ion hopping on the ten materials with the lowest BVSE-calculated E.sub.a and an E.sub.hull of 0 eV. The CI-NEB functionals and parameters can be found in the supporting information section VII. The top 10 prospective structures are tabulated in Table 2.

TABLE-US-00002 TABLE 2 The top 10 prospective structures from the semi-supervised learning model as ranked by BVSE?calculated E.sub.a. Structures in or directly adjacent to high- conductivity clusters were identified as promising. The list of promising structures was then further simplified by removing structures with Materials Project reported E.sub.hull values greater than 0 V and E.sub.g values less than 1 eV. To rank the remaining structures, the E.sub.a was calculated using BVSE and NEB approaches. E vs. E.sub.hull E.sub.g E.sub.a_calc (meV) compound space group MP_ID ICSD_ID (eV/atom) (eV) BVSE NEB Li.sub.3VS.sub.4 P43m (#215) mp-760375 0 1.88 160 390 Na.sub.3Li.sub.3Al.sub.2F.sub.12 Ia3d (#230) mp-6711 9923 0 7.85 230 340 Li.sub.2Te Fm3m (#225) mp-2530 60434 0 2.49 260 320 LiAlTe.sub.2 I42d (#122) mp-4586 280226 0 2.46 260 310 LiInTe.sub.2 I42d (#122) mp-20782 658016 0 1.49 270 450 Li.sub.6MnS.sub.4 P4.sub.2/nmc (#137) mp-756490 0 1.55 270 466 LiGaTe.sub.2 I42d (#122) mp-5048 162555 0 1.59 270 340 Li.sub.3BS.sub.3 Pnma (#62) mp-5614 380104 0 2.89 280 260 KLi.sub.6TaO.sub.6 R3m (#166) mp-9059 73159 0 4.27 300 404 Li.sub.3CuS.sub.2 Ibam (#72) mp-1177695 0 2.03 310 440

[0428] The CI-NEB calculations generally agree with the BVSE calculated E.sub.a values, suggesting favorable activation energies (<500 meV). Discrepancies between the two values may arise because BVSE does not allow framework ions to relax during Li.sup.+ migration and does not account for repulsive interactions between atoms of the mobile ion species. BVSE also does not capture cooperative conduction mechanisms or those involving the so-called paddlewheel effect. Despite these limitations, we note that the model identifies numerous diverse structures beyond those routinely explored. Table 1 includes four tellurides, a vanadium sulfide, and multiple transition-metal-containing structures. Of the structures in Table 1, 70% avoid the space groups for the best-performing SSEs discovered to date: LPS (62), LGPS (137), the argyrodites (216), and LLZO (230).

Data Processing and Semi-Supervised Learning:

[0429] The ?26,000 input compositions are exported from the Inorganic Crystalline Structure Database (ICSD v. 4.4.0) and Material's Project (MPv.2020.09.08) as crystallographic information files (.cif). All structures containing Li are imported. Although transition metals could produce undesirable redox activity, transition metal containing structures are not screened out. Some of the best-performing SSEs contain transition metals (e.g. LLZO and LLTO). Entries that existed in both ICSD and MP are merged. Data manipulations and structure simplifications are performed using the Python libraries NumPy (v1.19.1), Pandas (v1.0.5), ASE (v3.19.1), and Pymatgen (v2020.8.3). Descriptor transformations are performed using the Python libraries Pymatgen (v2020.8.3), Matminer (v0.6.3), and Dscribe. Agglomerative hierarchical clustering is performed using the Python library scipy (v1.5.0). All code has been successfully executed on a custom-built CPU with an AMD Ryzen Threadripper 3990x Processor and 256 GB of RAM, in Ubuntu 20.04 running on Windows Subsystem for Linux 2. All code is made available on the github (https://github.com/FALL-ML/materials-discovery).

CI-NEB:

[0430] Migration barriers for Li ion hopping are evaluated with the Climbing Image-Nudged Elastic Band (CI-NEB) method as implemented in the QuantumESPRESSO PWheb software package.sup.81-84. Density-functional theory (DFT) calculations are performed using the Perdew-Burke-Emzerfof (PBE) generalized gradient approximation functional and projector-augmented wave (PAW) sets.sup.85,86. Convergence testing for the kinetic-energy cutoff of the plane-wave basis and the k-point sampling is performed for each structure to ensure an accuracy of 1 meV per atom. The lattice parameters and atomic positions of the as-retrieved structure are optimized. Supercells are created for each structure that are a minimum of 10 ? in each lattice direction to minimize interactions between periodic images of the mobile ion. To study the migration barrier in the dilute limit, a single Li vacancy is created in the boundary endpoint structures of each studied pathway. A uniform background charge is used to balance excess charge. Each boundary configuration is relaxed until the force on each atom is less than 3?10.sup.?4 eV/?. Images are created by linearly interpolating framework atomic positions between the initial and final boundary configurations. The initial pathway for the mobile ion is generated from the BVSE output minimum energy pathway to promote faster convergence of the NEB calculation. An NEB force convergence threshold of 0.05 eV/? is used. The calculation is first converged using the default NEB algorithm and then restarted with the Cl scheme to allow for the maximum energy of the pathway to be determined.

Example 1B: Additional Aspects and Details for Semi-Supervised Machine Learning Approach for Identification of Candidate Solid State Li-Ion Conductors or Lithium Solid State Electrolytes

Section I. Digitized Labels for Lithium-Ion Conductors: RT Conductivity, Activation Energy, and Corresponding ICSD Identifier

[0431] Data labels for the semi-supervised learning approach were ultimately digitized from over 300 literature publications. Many more publications were initially examined. The stepwise decision chart below was used as a guide for deciding what data to digitize. Room temperature conductivity data was only digitized if it originated from an equivalent circuit fit (where a blocking feature was clearly present) or if calculated from NMR. DC techniques were categorically discounted because they cannot differentiate between electronic and ionic conductivity.

[0432] All of the digitized data is presented in the subsequent tableI. Activation energies were also digitized when available. The activation energies were not used in the manuscript but are still presented here to aid future machine learning endeavors. The digitized data was manually matched with the appropriate ICSD ID, so that the crystallographic information file (.cif) can be downloaded.

TABLE-US-00003 ?.sub.25? C. E.sub.a Space Space Other Compound (S cm.sup.?1) (eV) Group Group # names ICSD Citation LiAlSi.sub.3O.sub.8 1.30E?10 C1 2 81980 1 LiSn.sub.2(PO.sub.4).sub.3 2.04E?9 P1 2 83832 2 Li.sub.7BiO.sub.6 8.80E?07 0.58 P1 2 155950 3 Li.sub.7SbO.sub.6 6.70E?08 0.7 P1 2 413370 3 Li.sub.7P.sub.3S.sub.11 1.70E?02 0.17 P1 2 157654 4 Li.sub.7P.sub.3S.sub.11 3.2E?3 0.124 P1 2 157654 5 LiV(PO.sub.4)F 8.1E?7 0.23 P1 2 183876 6 Li.sub.2B.sub.3PO.sub.8 5.80E?15 0.76 P1 2 248343 7 Li.sub.3BP.sub.2O.sub.8 9.60E?12 0.62 P1 2 248343 7 Li.sub.2NaBP.sub.2O.sub.8 4.40E?18 1.21 P1 2 291512 7 Li.sub.4P.sub.2O.sub.7 .sup.<1E?10 1.617 P1 2 248414 8 LiMgSO.sub.4F 5.40E?08 0.54 P1 2 281119 9 Li.sub.6CuB.sub.4O.sub.10 1.00E?13 0.92 P1 2 ?-Li.sub.6CuB.sub.4O.sub.10 4819 10 Li.sub.0.91Hf.sub.2.022(PO.sub.4).sub.3 .sup.<1E?10 0.47 C1 2 11 Li.sub.7P.sub.3S.sub.11 8.6E?3 0.29 P1 2 12 Li.sub.2ZnGeO.sub.4 1.00E?07 0.4 Pc 7 34362 13 Li.sub.3.8Ge.sub.0.8P.sub.0.2S.sub.4 1.78E?6 0.47 P2.sub.1/m 11 14 Li.sub.3.6Ge.sub.0.6P.sub.0.4S.sub.4 1.75E?4 0.34 P2.sub.1/m 11 14 Li.sub.3.4Ge.sub.0.4P.sub.0.6S.sub.4 6.54E?4 0.28 P2.sub.1/m 11 14 Li.sub.3.35Ge.sub.0.35P.sub.0.65S.sub.4 1.54E?3 0.23 P2.sub.1/m 11 14 Li.sub.3.3Ge.sub.0.3P.sub.0.7S.sub.4 1.74E?3 0.22 P2.sub.1/m 11 14 Li.sub.3.25Ge.sub.0.25P.sub.0.75S.sub.4 2.2E?03 0.207 P2.sub.1/m 11 14 Li.sub.3.2Ge.sub.0.2P.sub.0.8S.sub.4 5.55E?4 0.27 P2.sub.1/m 11 14 Li.sub.4SiS.sub.4 5.00E?08 0.56 P2.sub.1/m 11 59708 15 Li.sub.7.22Si.sub.1.5P.sub.0.5O.sub.8 1.64E?7 0.48 P2.sub.1/m 11 238602 16 Li.sub.4SiO.sub.4 5.00E?10 0.55 P2.sub.1/m 11 238603 17 Li.sub.4SiS.sub.4 1.59E?8 0.56 P2.sub.1/m 11 18 Li.sub.3.8Si.sub.0.8P.sub.0.2S.sub.4 8.11E?7 0.37 P2.sub.1/m 11 18 Li.sub.3.6Si.sub.0.6P.sub.0.4S.sub.4 7.19E?5 0.34 P2.sub.1/m 11 18 Li.sub.3.5Si.sub.0.5P.sub.0.5S.sub.4 1.66E?4 0.34 P2.sub.1/m 11 18 Li.sub.3.4Si.sub.0.4P.sub.0.6S.sub.4 6.62E?4 0.29 P2.sub.1/m 11 18 Li.sub.3.3Si.sub.0.3P.sub.0.7S.sub.4 1.02E?5 0.36 P2.sub.1/m 11 18 Li.sub.3.2Si.sub.0.2P.sub.0.8S.sub.4 3.20E?6 0.37 P2.sub.1/m 11 18 Li.sub.4SiS.sub.4 1.62E?8 0.56 P2.sub.1/m 11 18 Li.sub.3.8Si.sub.0.8P.sub.0.2S.sub.4 8.07E?7 0.37 P2.sub.1/m 11 18 Li.sub.3.6Si.sub.0.6P.sub.0.4S.sub.4 7.11E?5 0.34 P2.sub.1/m 11 18 Li.sub.3.5Si.sub.0.5P.sub.0.5S.sub.4 1.61E?4 0.34 P2.sub.1/m 11 18 Li.sub.3.4Si.sub.0.4P.sub.0.6S.sub.4 6.49E?4 0.29 P2.sub.1/m 11 18 Li.sub.3.3Si.sub.0.3P.sub.0.7S.sub.4 9.84E?6 0.36 P2.sub.1/m 11 18 Li.sub.3.2Si.sub.0.2P.sub.0.8S.sub.4 3.05E?6 0.37 P2.sub.1/m 11 18 Li.sub.3.1P.sub.0.9Si.sub.0.1O.sub.4 7.47E?8 P2.sub.1/m 11 19 Li.sub.3.5P.sub.0.5Si.sub.0.5O.sub.4 2.89E?6 P2.sub.1/m 11 19 Li.sub.3.9P.sub.0.1Si.sub.0.9O.sub.4 1.99E?8 P2.sub.1/m 11 19 Li.sub.3.7P.sub.0.3Si.sub.0.7O.sub.4 3.84E?7 P2.sub.1/m 11 35168 19 Li3InCl6 2.04E?3 0.35 C2/m 12 89617 20 Li.sub.2P.sub.2S.sub.6 7.80E?11 0.48 C2/m 12 253894 21 Li.sub.0.6[Li.sub.0.2Sn.sub.0.8S.sub.2] 1.2E?4 0.17 C2/m 12 22 Li.sub.3(Mo.sub.8S.sub.8O.sub.8(OH).sub.8(HWO.sub.5(H.sub.2O)))*(H.sub.2O).sub.18 3.8E?7 0.62 C2/m 12 412011 23 Li.sub.17Sb.sub.13S.sub.28 1.05E?9 0.4 C2/m 12 429902 24 Li.sub.3InBr.sub.6 9.04E?4 C2/m 12 25 Li.sub.3YBr.sub.6 1.92E?3 0.37 C2/m 12 26 Li.sub.0.84Sn.sub.0.79S.sub.2 1.2E?4 0.17 C2/m 12 27 LiAlSi.sub.4O.sub.10 1.01E?10 P2/c 13 194284 1 LiPO.sub.3 1.00E?09 P2/c 13 51630 28 LiGaBr4 7.00E?6 0.54 P2.sub.1/c 14 61337 25 Li.sub.2SO.sub.4 1.40E?14 1.1 P2.sub.1/c 14 2512 29 Li.sub.3BO.sub.3 7.40E?11 0.63 P2.sub.1/c 14 9105 30 Li.sub.6Ge.sub.2O.sub.7 8.50E?07 0.43 P2.sub.1/c 14 31050 31 LiAlCl.sub.4 1.00E?06 0.47 P2.sub.1/c 14 35275 32 LiYO.sub.2 1.80E?08 0.72 P2.sub.1/c 14 45511 33 LiBO.sub.2 1.00E?08 0.71 P2.sub.1/c 14 200891 34 LiClC.sub.3H.sub.7NO 1.6E?4 0.881 P2.sub.1/c 14 238683 35 LaLiO.sub.2 .sup.<1E?10 0.92 P2.sub.1/c 14 239278 36 (La.sub.0.9Sr.sub.0.1)LiO.sub.2 6.29E?10 0.62 P2.sub.1/c 14 239279 36 La(Li.sub.0.76Mg.sub.0.08)O.sub.2 7.27E?10 0.66 P2.sub.1/c 14 239280 36 Li.sub.2.5V.sub.2(PO.sub.4).sub.3 1.9E?7 P2.sub.1/c 14 240269 37 Li.sub.4Zn(PO.sub.4).sub.2 .sup.<1E?10 1.3 P2.sub.1/c 14 ?-Li.sub.4Zn(PO.sub.4).sub.2 255464 38 LiSbO.sub.2 .sup.<1E?10 0.88 P2.sub.1/c 14 262075 39 Li.sub.2Sr.sub.2Al(PO.sub.4).sub.3 .sup.<1E?10 1.02 P2.sub.1/c 14 431319 40 Li.sub.2ZrO.sub.3 6.10E?10 0.78 C2/c 15 94894 33 Li.sub.6Zr.sub.2O.sub.7 5.20E?10 0.68 C2/c 15 73835 41 Li.sub.3AlF.sub.6 5.00E?07 0.54 C2/c 15 85171 42 Li.sub.2SnS.sub.3 1.50E?05 0.59 C2/c 15 251656 43 LiTa.sub.2PO.sub.8 1.6E?3 0.32 C2/c 15 267438 44 LiBaP.sub.2O.sub.7 1.00E?10 C2/c 15 280927 45 Li.sub.3Na.sub.5(TiS.sub.4).sub.2 8.80E?06 0.4 C2/c 15 391258 46 LiGd(PO.sub.3).sub.4 .sup.<1E?10 1.7 C2/c 15 416442 47 LiVO3 2.048E?9 C2/c 15 51443 48 Li.sub.2CrCl.sub.4 .sup.<1E?10 1.22 C2/c 15 202627 49 Li.sub.3ErI.sub.6 9.92E?5 0.37 C2/c 15 50 Li.sub.3.7Zn.sub.0.7Ga.sub.0.3(PO.sub.4).sub.2 .sup.<1E?10 0.91 P2.sub.12.sub.12.sub.1 19 ?- 255466 38 Li.sub.3.7Zn.sub.0.7Ga.sub.0.3(PO.sub.4).sub.2 Li.sub.3SbS.sub.4 1.5E?6 0.518 Pmn2.sub.1 31 8407 51 Li.sub.3PS.sub.4 2.60E?07 0.49 Pmn2.sub.1 31 ?-Li.sub.3PS.sub.4 180318 52 LiGaO.sub.2 2.40E?14 0.86 Pna2.sub.1 33 18152 53 LiB.sub.6OgF 5.40E?24 1.38 Pna2.sub.1 33 420286 54 Li.sub.3SbS.sub.3 1.00E?07 0.4 Pna2.sub.1 33 424834 55 LiSi.sub.2N.sub.3 6.17E?08 0.64 Cmc2.sub.1 36 34118 56 Li.sub.2(PO.sub.2N) .sup.<1E?10 0.57 Cmc2.sub.1 36 188493 57 LiGa.sub.2GeS.sub.6 3.80E?08 0.47 Fdd2 43 254406 58 La.sub.0.64Li.sub.0.08TiO.sub.3 3.35E?4 Pmmm 47 92228 59 La.sub.0.62Li.sub.0.14TiO.sub.3 4.42E?4 Pmmm 47 92231 59 La.sub.0.595Li.sub.0.215TiO.sub.3 8.53E?4 Pmmm 47 92234 59 Li.sub.0.4Na.sub.0.1La.sub.0.5Nb.sub.2O.sub.6 9.92E?6 Pmmm 47 180629 60 Li.sub.0.3Na.sub.0.2La.sub.0.5Nb.sub.2O.sub.6 1.11E?5 Pmmm 47 180630 60 Li.sub.0.2Na.sub.0.3La.sub.0.5Nb.sub.2O.sub.6 1.18E?5 Pmmm 47 180631 60 Li.sub.0.1Na.sub.0.4La.sub.0.5Nb.sub.2O.sub.6 1.21E?5 Pmmm 47 180632 60 Li.sub.0.07Na.sub.0.43La.sub.0.5Nb.sub.2O.sub.6 1.23E?5 Pmmm 47 180633 60 Li.sub.0.04Na.sub.0.46La.sub.0.5Nb.sub.2O.sub.6 5.91E?6 Pmmm 47 180634 60 Li.sub.0.02Na.sub.0.48La.sub.0.5Nb.sub.2O.sub.6 3.99E?6 Pmmm 47 180635 60 (Ag.sub.0.33Li.sub.0.67).sub.0.27La.sub.0.57TiO.sub.3 1E?4 0.30 Pmmm 47 61 (Ag.sub.0.5Li.sub.0.5).sub.0.27La.sub.0.57TiO.sub.3 2.3E?5 0.28 Pmmm 47 61 (Ag.sub.0.67Li.sub.0.33).sub.0.27La.sub.0.57TiO.sub.3 2E?7 0.37 Pmmm 47 61 Pr.sub.0.56Li.sub.0.34TiO.sub.3.01 1E?6 0.47 Pmmm 47 62 Nd.sub.0.55Li.sub.0.34TiO.sub.3 8E?7 0.53 Pmmm 47 62 Li.sub.0.09La.sub.0.77TiO.sub.3 1.23E?4 Pmmm 47 63 Li.sub.0.15La.sub.0.72TiO.sub.3 4.14E?4 Pmmm 47 63 Li.sub.0.24La.sub.0.65TiO.sub.3 5.77E?4 Pmmm 47 63 Li.sub.0.12La.sub.0.75TiO.sub.3 2.38E?4 Pmmm 47 63 Li.sub.0.16La.sub.0.7TiO.sub.3 5.21E?4 Pmmm 47 63 Li.sub.0.23La.sub.0.7TiO.sub.3 5.26E?4 Pmmm 47 63 Li.sub.5AlO.sub.4 5.00E?10 0.99 Pmmn 59 16229 64 Li.sub.14Nd.sub.5(Si.sub.11N.sub.19O.sub.5)O.sub.2F.sub.2 1.7E?10 0.69 Pmmn 59 262923 65 Li.sub.5GaO.sub.4 5.00E?09 0.71 Pbca 61 ?-Li.sub.5GaO.sub.4 9082 64 Li.sub.2SiN.sub.2 1.60E?07 Pbca 61 420126 66 Li.sub.6.5O.sub.8P.sub.1.5Si.sub.0.5 4.49E?07 0.44 Pnma 62 238600 16 Li.sub.3.4Si.sub.0.7S.sub.0.3O.sub.4 4.21E?7 Pnma 62 47145 67 Li.sub.3.2Si.sub.0.6S.sub.0.4O.sub.4 1.32E?6 Pnma 62 67 Li.sub.3.1Si.sub.0.55S.sub.0.45O.sub.4 3.14E?7 Pnma 62 67 Li.sub.6.6SiPO.sub.8 1.48E?7 0.49 Pnma 62 238601 16 Li.sub.4.2Si.sub.0.8Al.sub.0.2S.sub.4 2.40E?8 0.53 Pnma 62 18 Li.sub.4.4Si.sub.0.6Al.sub.0.4S.sub.4 3.04E?8 0.52 Pnma 62 18 Li.sub.4.6Si.sub.0.4Al.sub.0.6S.sub.4 1.45E?8 0.52 Pnma 62 18 Li.sub.4.8Si.sub.0.2Al.sub.0.8S.sub.4 2.25E?7 0.52 Pnma 62 18 Li.sub.3.8Si.sub.0.8Al.sub.0.2S.sub.4 2.38E?8 0.53 Pnma 62 18 Li.sub.3.6Si.sub.0.6Al.sub.0.4S.sub.4 3.06E?8 0.52 Pnma 62 18 Li.sub.3.4Si.sub.0.4Al.sub.0.6S.sub.4 1.45E?8 0.52 Pnma 62 18 Li.sub.3.2Si.sub.0.2Al.sub.0.8S.sub.4 2.28E?7 0.52 Pnma 62 18 Li.sub.4Zn(PO.sub.4).sub.2 .sup.<1E?10 1.1 Pnma 62 ?-Li.sub.4Zn(PO.sub.4).sub.2 255465 38 Li.sub.3.5Zn.sub.0.5Ga.sub.0.5(PO.sub.4).sub.2 .sup.<1E?10 1.02 Pnma 62 ?-Li.sub.3.5Zn.sub.0.5Ga.sub.0.5(PO.sub.4).sub.2 255468 38 Li.sub.3PS.sub.4 1.60E?04 0.36 Pnma 62 ?-Li.sub.3PS.sub.4 180319 52 Li.sub.3PO.sub.4 .sup.<1E?10 1.14 Pnma 62 ?-Li.sub.3PO.sub.4 20208 68 Li.sub.3PS.sub.4 3.00E?7 Pnma 62 ?-Li.sub.3PS.sub.4 35018 69 Li.sub.2.88PO.sub.3.73N.sub.0.14 1.4E?13 0.97 Pnma 62 79426 70 Li.sub.3PO.sub.4 4.2E?18 1.24 Pnma 62 ?-Li.sub.3PO.sub.4 79427 70 Li.sub.4GeS.sub.4 2E?7 0.53 Pnma 62 92200 71 Li.sub.14Zn(GeO.sub.4).sub.4 1.00E?06 0.24 Pnma 62 100169 72 Li.sub.3.75Ge.sub.0.75V.sub.0.25O.sub.4 5.66E?6 Pnma 62 150918 73 Li.sub.3.70Ge.sub.0.85W.sub.0.15O.sub.4 3.80E?5 Pnma 62 150920 73 Li.sub.0.2Ca.sub.0.4TaO.sub.3 3.53E?9 0.54 Pnma 62 151936 74 Li.sub.0.2(Ca.sub.0.36Sr.sub.0.04)TaO.sub.3 9.2E?9 Pnma 62 151937 74 Li.sub.2Mg.sub.2(MoO.sub.4).sub.3 .sup.<1E?10 0.71 Pnma 62 170956 75 Li.sub.4SnSe.sub.4 2E?5 0.45 Pnma 62 193768 76 Li(BH.sub.4) 1E?8 Pnma 62 239763 77 LiZnSO.sub.4F 2.80E?05 0.2455 Pnma 62 261343 78 Li.sub.4GeS.sub.4 2.00E?07 0.53 Pnma 62 290831 79 Li.sub.4SnS.sub.4 7.0E?5 0.29 Pnma 62 290832 80 Li.sub.2ZnI.sub.4 4.00E?08 0.58 Pnma 62 402062 81 Pr.sub.0.53Li.sub.0.41TiO.sub.3 0.84E?7 0.462 Pnma 62 82 Pr.sub.0.54Li.sub.0.38TiO.sub.3 1.18E?6 0.452 Pnma 62 82 Pr.sub.0.55Li.sub.0.35TiO.sub.3 1.51E?6 0.441 Pnma 62 82 Pr.sub.0.56Li.sub.0.32TiO.sub.3 1.91E?6 0.437 Pnma 62 82 Pr.sub.0.57Li.sub.0.29TiO.sub.3 2.86E?6 0.429 Pnma 62 82 Pr.sub.0.58Li.sub.0.26TiO.sub.3 3.87E?6 0.421 Pnma 62 82 Pr.sub.0.59Li.sub.0.23TiO.sub.3 3.40E?6 0.425 Pnma 62 82 Li.sub.2.5Y.sub.0.5Zr.sub.0.5Cl.sub.6 1.4E?3 0.33 Pnma 62 83 Li.sub.2.633Er.sub.0.633Zr.sub.0.367Cl.sub.6 1.1E?3 0.35 Pnma 62 83 Li.sub.3.33Ge.sub.0.33V.sub.0.67O.sub.4 6.94E?6 Pnma 62 84 Li.sub.3.6Ge.sub.0.6V.sub.0.4O.sub.4 1.97E?5 0.44 Pnma 62 84 Li.sub.3.75Ge.sub.0.75V.sub.0.25O.sub.4 1.08E?5 Pnma 62 84 Li.sub.3.5Ge.sub.0.5V.sub.0.5O.sub.4 1.77E?5 Pnma 62 66576 84 Li.sub.3.87Sn.sub.0.87As.sub.0.13S.sub.4 1.48E?5 0.39 Pnma 62 85 Li.sub.3.855Sn.sub.0.855As.sub.0.145S.sub.4 1.31E?4 0.35 Pnma 62 85 Li.sub.3.85Sn.sub.0.85As.sub.0.15S.sub.4 2.08E?4 0.31 Pnma 62 85 Li.sub.3.84Sn.sub.0.84As.sub.0.16S.sub.4 5.85E?4 0.29 Pnma 62 85 Li.sub.3.83Sn.sub.0.83As.sub.0.17S.sub.4 1.39E?3 0.21 Pnma 62 85 Li.sub.3.825Sn.sub.0.825As.sub.0.175S.sub.4 5.18E?4 0.27 Pnma 62 85 Li.sub.3.82Sn.sub.0.82As.sub.0.18S.sub.4 2.83E?4 0.35 Pnma 62 85 Li.sub.3.8Sn.sub.0.8As.sub.0.2S.sub.4 1.06E?4 0.4 Pnma 62 85 Li.sub.3.75Sn.sub.0.75As.sub.0.25S.sub.4 3.69E?6 0.48 Pnma 62 85 Nd.sub.0.54Li.sub.0.36TiO.sub.3 3.42E?8 0.50 Pnma 62 81047 86 Pr.sub.0.51Li.sub.0.39TiO.sub.2.96 5.34E?7 0.44 Pnma 62 81048 86 Sm.sub.0.52Li.sub.0.38TiO.sub.2.97 2E?7 0.64 Pnma 62 62 Li.sub.4GeO.sub.4 2.80E?10 0.73 Cmcm 63 18096 87 LiCl*H.sub.2O 1E?8 0.777 Cmcm 63 281198 88 Li.sub.2MgBr.sub.4 7.80E?10 0.77 Cmmm 65 73276 89 Li.sub.0.22La.sub.0.60TiO.sub.3 4.8E?4 0.391 Cmmm 65 90 Li.sub.0.18La.sub.0.61TiO.sub.3 2.0E?4 0.432 Cmmm 65 99398 90 LiBiO.sub.2 3.80E?08 0.1 Ibam 72 46022 30 Li.sub.2.5Zn.sub.0.25PS.sub.4 8.40E?4 I4 82 69 LiZnPS.sub.4 5.4E?8 I4 82 95785 69 Li.sub.2Zn.sub.0.5PS.sub.4 1.30E?4 0.22 I4 82 264462 69 (Li.sub.1.69Zn.sub.0.66)PS.sub.4 1.30E?4 0.181 I4 82 264462 69 Li.sub.1.5Zn.sub.0.75PS.sub.4 1.65E?5 0.25 I4 82 264463 69 (Li.sub.1.19Zn.sub.0.9)PS.sub.4 0.65E?5 0.25 I4 82 264463 69 (Li.sub.0.5Ce.sub.0.5)(MoO.sub.4) 1.3E?8 0.4 I4.sub.1/a 88 186450 91 (Li.sub.0.5Ce.sub.0.25Pr.sub.0.25)(MoO.sub.4) 1E?9 0.5 I4.sub.1/a 88 186451 91 (Li.sub.0.5Ce.sub.0.25Sm.sub.0.25)(MoO.sub.4) 1.8E?10 0.5 I4.sub.1/a 88 186452 91 Li.sub.2TeO.sub.4 .sup.<1E?10 1.129 P4.sub.122 91 1485 92 Li.sub.3BN.sub.2 1.60E?10 0.67 P4.sub.22.sub.12 94 ?-Li.sub.3BN.sub.2 655673 93 Li.sub.2B.sub.4O.sub.7 1.00E?10 I4.sub.1cd 110 65930 94 LiY(BH.sub.4).sub.4 1.26E?6 P42c 112 239762 77 LiPN.sub.2 1.6E?7 0.40 I42d 122 66007 95 La.sub.0.565Li.sub.0.305TiO.sub.3 9.57E?4 P4/mmm 123 92235 59 La.sub.0.5Li.sub.0.5TiO.sub.3 9.25E?4 0.39 P4/mmm 123 92236 59 Li.sub.0.33La.sub.0.5TiO.sub.3 1E?3 0.15 P4/mmm 123 82671 96 Li.sub.0.27La.sub.0.57TiO.sub.3 3.4E?4 0.38 P4/mmm 123 61 La.sub.0.61Li.sub.0.18TiO3 4.12e-4 P4/mmm 123 97 La.sub.0.55Li.sub.0.36TiO3 6.88E?4 0.35 P4/mmm 123 97 La.sub.0.54Li.sub.0.39TiO3 6.51E?4 P4/mmm 123 97 La.sub.0.52Li.sub.0.45TiO3 5.01E?4 P4/mmm 123 50434 97 La.sub.0.58Li.sub.0.27TiO3 5.99E?4 P4/mmm 123 82672 97 La.sub.0.56Li.sub.0.33TiO3 6.68E?4 P4/mmm 123 504435 97 Li.sub.0.31La.sub.0.63TiO.sub.3 4.11E?4 P4/mmm 123 63 Li.sub.0.39La.sub.0.59TiO.sub.3 8.83E?4 P4/mmm 123 63 Li.sub.0.49La.sub.0.55TiO.sub.3 9.39E?4 P4/mmm 123 63 Li.sub.0.68La.sub.0.49TiO.sub.3 1.03E?3 P4/mmm 123 63 Li.sub.0.24La.sub.0.65TiO.sub.3 9.57E?4 P4/mmm 123 63 Li.sub.0.33La.sub.0.58TiO.sub.3 8.93E?4 P4/mmm 123 63 Li.sub.0.36La.sub.0.55TiO.sub.3 9.34E?4 P4/mmm 123 63 Li.sub.0.42La.sub.0.52TiO.sub.3 8.47E?4 P4/mmm 123 63 Li.sub.0.29La.sub.0.57TiO.sub.3 4.4E?5 0.453 P4/mmm 123 90 La.sub.0.56Li.sub.0.33TiO.sub.3 1.65E?4 0.41 P4/mmm 123 98 La.sub.0.56Li.sub.0.33TiO.sub.3-5 wt % Al.sub.2O.sub.3 1.66E?4 0.24 P4/mmm 123 98 La.sub.0.56Li.sub.0.33TiO.sub.3-10 wt % Al.sub.2O.sub.3 9.33E?4 0.17 P4/mmm 123 98 La.sub.0.56Li.sub.0.33TiO.sub.3-15 wt % Al.sub.2O.sub.3 9.56E?5 0.50 P4/mmm 123 98 Li(LaTiO.sub.4) .sup.<1E?10 0.83 P4/nmm Z 129 91843 99 Li(NdTiO.sub.4) .sup.<1E?10 0.87 P4/nmm Z 129 91844 99 La.sub.0.65Li.sub.0.05(Mg.sub.0.5W.sub.0.5)O.sub.3 1.8E?7 0.46 P4/nmm 129 151900 100 La.sub.0.63Li.sub.0.11(Mg.sub.0.5W.sub.0.5)O.sub.3 6.8E?6 0.38 P4/nmm 129 151901 100 La.sub.0.62Li.sub.0.14(Mg.sub.0.5W.sub.0.5)O.sub.3 1.2E?5 0.37 P4/nmm 129 151902 100 Li.sub.4PS.sub.4I 1.2E?4 0.37 P4/nmm Z 129 432169 101 Li.sub.9.75Sn.sub.0.75P.sub.2.25S.sub.12 3.57E?3 P4.sub.2/nmc S 137 Li.sub.6ZnO.sub.4 9.40E?09 0.61 P4.sub.2/nmc 137 62137 64 Li.sub.9.42Si.sub.1.02P.sub.2.1S.sub.9.96O.sub.2.04 1.1E?4 0.238 P4.sub.2/nmc 137 102 Li.sub.9.54Si.sub.1.74P.sub.1.44S.sub.11.7C.sub.l0.3 2.53E?2 0.238 P4.sub.2/nmc 137 102 Li.sub.10GeP.sub.2S.sub.11.7O.sub.0.3 1.15E?2 0.155 P4.sub.2/nmc 137 102 Li.sub.10(Si.sub.0.5Sn.sub.0.5)P.sub.2S.sub.12 4.28E?3 0.29 P4.sub.2/nmc 137 102 Li.sub.9P.sub.3S.sub.9O.sub.3 4.27E?5 0.311 P4.sub.2/nmc 137 103 Li.sub.10.05Ge.sub.1.05P.sub.1.95S.sub.12 1.22E?2 0.28 P4.sub.2/nmc4 137 104 Li.sub.10.2Ge.sub.1.2P.sub.1.8S.sub.12 1.32E?2 P4.sub.2/nmc4 137 104 Li.sub.10.5Ge.sub.1.5P.sub.1.5S.sub.12 1.10E?2 P4.sub.2/nmc4 137 104 Li.sub.10GePS.sub.12 1.21E?2 P4.sub.2/nmc 137 188887 104 Li.sub.10.35Ge.sub.1.35P.sub.1.65S.sub.12 1.44E?2 0.269 P4.sub.2/nmc S 137 193947 104 Li.sub.3.475Si.sub.0.475P.sub.0.525S.sub.4 5.27E?3 P4.sub.2/nmc 137 105 Li.sub.3.45Si.sub.0.45P.sub.0.55S.sub.4 6.73E?3 0.27 P4.sub.2/nmc 137 105 Li.sub.3.425Si.sub.0.425P.sub.0.575S.sub.4 5.65E?3 P4.sub.2/nmc 137 105 Li.sub.3.4Si.sub.0.4P.sub.0.6S.sub.4 4.21E?3 P4.sub.2/nmc 137 105 Li.sub.3.335Sn.sub.0.33P.sub.0.67S.sub.4 3.73E?3 P4.sub.2/nmc 137 105 Li.sub.3.3Sn.sub.0.3P.sub.0.7S.sub.4 3.65E?3 P4.sub.2/nmc 137 105 Li.sub.3.285Sn.sub.0.28P.sub.0.72S.sub.4 4.36E?3 P4.sub.2/nmc 137 105 Li.sub.3.27Sn.sub.0.27P.sub.0.73S.sub.4 4.96E?3 P4.sub.2/nmc 137 105 Li.sub.3.26Sn.sub.0.26P.sub.0.74S.sub.4 4.53E?3 P4.sub.2/nmc 137 105 Li.sub.3.25Sn.sub.0.25P.sub.0.75S.sub.4 3.6E?3 P4.sub.2/nmc 137 105 Li.sub.10SiP.sub.2S.sub.12 2.3E?3 0.196 P4.sub.2/nmc 137 106 Li.sub.10SnP.sub.2S.sub.12 7E?3 0.27 P4.sub.2/nmc C 137 193755 107 Li.sub.10GeP.sub.2S.sub.12 2.46E?2 0.274 P4.sub.2/nmc 137 241439 108 Li.sub.10(Ge.sub.0.776Sn.sub.0.224)P.sub.2S.sub.12 1.41E?2 0.276 P4.sub.2/nmc 137 255748 108 Li.sub.10SnP.sub.2S.sub.12 3.98E?3 0.305 P4.sub.2/nmc 137 255750 108 Li.sub.10(Ge.sub.0.416Sn.sub.0.584)P.sub.2S.sub.12 7.43E?3 0.285 P4.sub.2/nmc 137 255757 108 Li.sub.10.35Si.sub.1.35P.sub.1.65S.sub.12 6.5E?3 P4.sub.2/nmc S 137 252037 109 Li.sub.9.81Sn.sub.0.81P.sub.2.19S.sub.12 5.5E?3 P4.sub.2/nmc 137 252040 109 Li.sub.10GeP.sub.2S.sub.12 1.20E?02 0.25 P4.sub.2/nmc 137 255749 110 Li.sub.10.2Si.sub.1.2P.sub.1.8S.sub.12 4.16E?3 P4.sub.2/nmc S 137 111 Li.sub.10.275Si.sub.1.275P.sub.1.725S.sub.12 5.61E?3 P4.sub.2/nmc S 137 111 Li.sub.10.35Si.sub.1.35P.sub.1.65S.sub.12 6.68E?3 P4.sub.2/nmc S 137 111 Li.sub.10.425Si.sub.1.425P.sub.1.575S.sub.12 5.22E?3 P4.sub.2/nmc S 137 111 Li10GeP.sub.2S.sub.12 1.21E?2 P4.sub.2/nmc S 137 111 Li.sub.10.05Ge.sub.1.05P.sub.1.95S.sub.12 1.25E?2 P4.sub.2/nmc S 137 111 Li.sub.10.2Ge.sub.1.2P.sub.1.8S.sub.12 1.36E?2 P4.sub.2/nmc S 137 111 Li.sub.10.35Ge.sub.1.35P.sub.1.65S.sub.12 1.41E?2 P4.sub.2/nmc S 137 111 Li.sub.10.5Ge.sub.1.5P.sub.1.5S.sub.12 1.09E?2 P4.sub.2/nmc S 137 111 Li.sub.9.79Sn.sub.0.79P.sub.2.21S.sub.12 4.56E?3 P4.sub.2/nmc S 137 111 Li.sub.9.81Sn.sub.0.81P.sub.2.19S.sub.12 4.98E?3 P4.sub.2/nmc S 137 111 Li.sub.9.87Sn.sub.0.87P.sub.2.13S.sub.12 4.32E?3 P4.sub.2/nmc S 137 111 Li.sub.9.9Sn.sub.0.9P.sub.2.1S.sub.12 3.66E?3 P4.sub.2/nmc S 137 111 Li.sub.10SnP.sub.2S.sub.12 3.65E?3 P4.sub.2/nmc S 137 111 Li.sub.10.2(Sn.sub.0.2Si.sub.0.8)1.2P.sub.1.8S.sub.12 7.82E?3 P4.sub.2/nmc S 137 5667 111 Li.sub.10.5(Sn.sub.0.2Si.sub.0.8).sub.1.5P.sub.1.5S.sub.12 8.79E?3 P4.sub.2/nmc S 137 5668 111 Li.sub.10.35(Sn.sub.0.2Si.sub.0.8).sub.1.35P.sub.1.65S.sub.12 1.08E?2 P4.sub.2/nmc S 137 5669 111 Li.sub.10.35(Sn.sub.0.27Si.sub.1.08)P.sub.1.65S.sub.12 1.1E?3 0.197 P4.sub.2/nmc S 137 257946 111 Li.sub.10.2(Sn.sub.0.2Si.sub.0.8).sub.1.2P.sub.1.8S.sub.12 2.69E?3 P4.sub.2/nmc S 137 257948 111 Li.sub.10GeP.sub.2S.sub.12 1.43E?3 0.24 P4.sub.2/nmc S 137 112 Li.sub.9.8Ba.sub.0.1GeP.sub.2S.sub.12 5.61E?4 P4.sub.2/nmc S 137 112 Li.sub.9.6Ba.sub.0.2GeP.sub.2S.sub.12 5.72E?4 P4.sub.2/nmc S 137 112 Li.sub.9.4Ba.sub.0.3GeP.sub.2S.sub.12 7.07E?4 0.29 P4.sub.2/nmc S 137 112 Li.sub.9.2Ba.sub.0.4GeP.sub.2S.sub.12 3.16E?4 P4.sub.2/nmc S 137 112 Li.sub.9Ba.sub.0.5GeP.sub.2S.sub.12 9.98E?5 P4.sub.2/nmc S 137 112 Li.sub.10GeP.sub.2S.sub.12 5.0E?3 0.35 P4.sub.2/nmc 137 113 LiIaNb.sub.2O.sub.7 .sup.<1E?8 I4/mmm 139 72566 114 Li.sub.4Sr.sub.3Nb.sub.5.77Fe.sub.0.23O.sub.19.77 .sup.<1E?10 I4/mmm 139 87823 115 Li.sub.4Sr.sub.3Nb.sub.6O.sub.20 .sup.<1E?10 I4/mmm 139 87824 115 Li.sub.4Sr.sub.3.056Nb.sub.6O.sub.20 .sup.<1E?10 0.74 I4/mmm 139 109168 115 LiScO.sub.2 1.00E?12 0.87 I4.sub.1/amd 141 36124 33 r-LiAlO.sub.2 1.10E?12 0.97 I4.sub.1/amd 141 99517 33 Li.sub.3BN.sub.2 8.70E?08 0.55 I4.sub.1/amd 141 ?-Li.sub.3BN.sub.2 155126 93 Li.sub.4SrN.sub.2 2.30E?13 0.9 I4.sub.1/amd 141 87413 116 LiScO.sub.2 .sup.<1E?10 1.047 I4.sub.1/amd 141 257819 117 Li.sub.0.9SC.sub.0.9Zr.sub.0.1O.sub.2 .sup.<1E?10 0.912 I4.sub.1/amd 141 257820 117 Li.sub.7La.sub.3HfO.sub.12 9.85E?7 0.53 I4.sub.1/acdZ 142 tetragonal-LLHO 174202 118 Li.sub.7LasZr.sub.2O.sub.12 1.63E?6 0.54 I4.sub.1/acdZ 142 tetraganol-LLZO 183684 119 Li.sub.7La.sub.3Zr.sub.2O.sub.12 5E?7 0.59 I4.sub.1/acdZ 142 120 Li.sub.7La.sub.3Zr.sub.2O.sub.12 9.9E?6 0.43 I4.sub.1/acdZ 142 238687 121 LiGaSiO.sub.4 3.00E?16 0.9 R3H 146 65125 122 LiGa.sub.0.5Al.sub.0.5GeO.sub.4 .sup.<1E?10 1.06 R3H 146 257740 123 LiAlGeO.sub.4 .sup.<1E?10 0.97 R3H 146 257741 123 LiGaGeO.sub.4 .sup.<1E?10 1.12 R3 148 257739 123 LiTi.sub.2(PO.sub.4).sub.3 1.61E?4 0.21 R3 148 124 Li.sub.1.2Ti.sub.1.8Al.sub.0.2(PO.sub.4).sub.3 4.82E?3 0.18 R3 148 124 LiNaSO.sub.4 8.80E?10 P31c 159 14364 125 Li.sub.3.333Mg.sub.0.333P.sub.2S.sub.6 8.20E?8 0.517 P31m 162 95606 126 Li.sub.2.667Mg.sub.0.667P.sub.2S.sub.6 4.00E?06 0.46 P31m 162 95607 126 Li.sub.4P.sub.2S.sub.6 2.38E?07 0.29 P31m 162 242170 127 Li.sub.4P.sub.2S.sub.6 1.6E?10 0.48 P31m 162 128 Li.sub.3YCl.sub.6 5.39E?4 0.40 P3m1 164 26 Li.sub.3ErCl.sub.6 3.3E?4 0.41 P3m1 164 50151 129 Li.sub.4.4Al.sub.0.4Ge.sub.0.6S.sub.4 4.33E?5 0.38 P3m1 164 235201 130 Li.sub.4.4Al.sub.0.4Sn.sub.0.6S.sub.4 3.6E?6 0.15 P3m1 164 235207 130 Li.sub.5NCl.sub.2 1.20E?06 0.5 R3m 166 84763 131 LiHf.sub.2(PO.sub.4).sub.3 2.833E?7 R3cH 167 2 LiZr.sub.2(PO.sub.4).sub.3 2.96E?10 R3cH 167 201935 2 LiGe.sub.2(PO.sub.4).sub.3 3.33E?7 R3cH 167 263767 2 Li.sub.1.1Ti.sub.1.9Sc.sub.0.1(PO.sub.4).sub.3 3.89E?4 0.3 R3cH 167 132 Li.sub.1.2Ti.sub.1.8Sc.sub.0.2(PO.sub.4).sub.3 2.51E?3 0.25 R3cH 167 132 Li.sub.1.3Ti.sub.1.7Sc.sub.0.3(PO.sub.4).sub.3 7.91E?4 0.28 R3cH 167 132 Li.sub.1.4Ti.sub.1.6Sc.sub.0.4(PO.sub.4).sub.3 1.99E?4 0.31 R3cH 167 132 Li.sub.1.5Ti.sub.1.5Sc.sub.0.5(PO.sub.4).sub.3 9.74E?5 0.32 R3cH 167 132 LiTi.sub.2(PO.sub.4).sub.3 7.61E?6 0.38 R3cH 167 95979 132 LiGe.sub.2(PO.sub.4).sub.3 4.83E?9 0.654 R3cH 167 69763 133 Li.sub.1.2Al.sub.0.2Ge.sub.1.8(PO.sub.4).sub.3 4.83E?5 0.387 R3cH 167 263760 133 Li.sub.1.4A.sub.10.4Ge.sub.1.6(PO.sub.4).sub.3 1.88E?4 0.407 R3cH 167 263762 133 Li.sub.1.5A.sub.10.5Ge.sub.1.5(PO.sub.4).sub.3 3.36E?4 0.426 R3cH 167 263763 133 Li.sub.1.7Al.sub.0.7Ge.sub.1.3(PO.sub.4).sub.3 2.64E?4 0.450 R3cH 167 263765 133 Li.sub.1.8Al.sub.0.8Ge.sub.1.2(PO.sub.4).sub.3 1.37E?4 0.429 R3cH 167 263766 133 LiTi.sub.2(PO.sub.4).sub.3 1.0E?4 R3cH 167 134 Li.sub.1.2Ti.sub.2Si.sub.0.2P.sub.2.8O.sub.12 8.6E?5 R3cH 167 134 Li.sub.1.3Ti.sub.2Si.sub.0.3P.sub.2.7O.sub.12 3.2E?4 R3cH 167 134 Li.sub.1.4Ti.sub.2Si.sub.0.4P.sub.2.6O.sub.12 1.5E?4 R3cH 167 134 Li.sub.1.5Ti.sub.2Si.sub.0.5P.sub.2.5O.sub.12 9.6E?5 R3cH 167 134 Li.sub.1.3Al.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 3E?3 R3cH 167 134 Li.sub.1.4Al.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 3.88E?4 R3cH 167 134 Li.sub.1.5Al.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 2.48E?4 R3cH 167 134 Li.sub.1.2Cr.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 1.82E?5 R3cH 167 134 Li.sub.1.3Cr.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 3.51E?5 R3cH 167 134 Li.sub.1.4Cr.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 1.49E?4 R3cH 167 134 Li.sub.1.5Cr.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 3.86E?4 R3cH 167 134 Li.sub.1.6Cr.sub.0.6Ti.sub.1.4(PO.sub.4).sub.3 1.26E?4 R3cH 167 134 Li.sub.1.7Cr.sub.0.7Ti.sub.1.3(PO.sub.4).sub.3 8.05E?6 R3cH 167 134 Li.sub.1.2Ga.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 1.62E?4 R3cH 167 134 Li.sub.1.3Ga.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 2.61E?4 R3cH 167 134 Li.sub.1.4Ga.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 1.28E?4 R3cH 167 134 Li.sub.1.5Ga.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 1.22E?4 R3cH 167 134 Li.sub.1.2Fe.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 1.80E?4 R3cH 167 134 Li.sub.1.3Fe.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 2.46E?4 R3cH 167 134 Li.sub.1.4Fe.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 3.92E?4 R3cH 167 134 Li.sub.1.2Sc.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 6.90E?4 R3cH 167 134 Li.sub.1.3Sc.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 7.03E?4 R3cH 167 134 Li.sub.1.4Sc.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 5.15E?4 R3cH 167 134 Li.sub.1.5Sc.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 2.53E?4 R3cH 167 134 Li.sub.1.2In.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 3.90E?4 R3cH 167 134 Li.sub.1.3In.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 3.93E?4 R3cH 167 134 Li.sub.1.4In.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 3.02E?4 R3cH 167 134 Li.sub.1.5In.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 2.04E?4 R3cH 167 134 Li.sub.1.2La.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 8.00E?5 R3cH 167 134 Li.sub.1.3La.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 5.23E?4 R3cH 167 134 Li.sub.1.4La.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 4.98E?4 R3cH 167 134 Li.sub.1.5La.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 2.81E?4 R3cH 167 134 Li.sub.1.5Fe.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 1.74E?4 R3cH 167 55751 134 Li.sub.0.87Hf.sub.2.032P.sub.3O.sub.12 1.29E?05 0.33 R3cH 167 83501 134 Li.sub.1.2Al.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 5.95E?4 R3cH 167 427621 134 Li(Ti.sub.1.4Sn.sub.0.6)(PO.sub.4).sub.3 2.28E?5 0.32 R3cH 167 183672 135 Li(Ti.sub.0.6Sn.sub.1.4)(PO.sub.4).sub.3 9.42E?6 R3cH 167 183676 135 Li(Ti.sub.0.4Sn.sub.1.6)(PO.sub.4).sub.3 3.15E?6 R3cH 167 183677 135 Li.sub.1.15Y.sub.0.15Zr.sub.1.85(PO.sub.4).sub.3 1.4E?4 0.39 R3cH 167 191891 136 LiZr2(PO4)3 1E?9 0.76 R3cH 167 201935 137 Li.sub.1.3(Al.sub.0.3Ti.sub.1.7)(PO.sub.4).sub.3 8.02E?7 R3cH 167 253240 138 Li.sub.1.3(Al.sub.0.23Ga.sub.0.07Ti.sub.1.7)(PO.sub.4).sub.3 4.46E?6 R3cH 167 253241 138 Li.sub.1.3(Al.sub.0.23Sc.sub.0.07Ti.sub.1.7)(PO.sub.4).sub.3 1.94E?7 R3cH 167 253242 138 Li.sub.1.3(Al.sub.0.23Y.sub.0.07Ti.sub.1.7)(PO.sub.4).sub.3 3.84E?8 R3cH 167 253243 138 Li.sub.1.3Al.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 7E?4 R3cH 167 257190 139 LiZr.sub.2(PO.sub.4).sub.3 8.5E?5 R3cH 167 140 Li.sub.1.025Y.sub.0.025Zr.sub.1.975(PO.sub.4).sub.3 1.28E?4 R3cH 167 140 Li.sub.1.05Y.sub.0.05Zr.sub.1.95(PO.sub.4).sub.3 1.3E?4 R3cH 167 140 Li.sub.1.1Y.sub.0.1Zr.sub.1.9(PO.sub.4).sub.3 1.0E?4 R3cH 167 140 Li.sub.1.1Al.sub.0.1Ge1.sub..9(PO.sub.4).sub.3 1.29E?5 R3cH 167 140 Li.sub.1.2Al.sub.0.2Ge1.sub..8(PO.sub.4).sub.3 1.89E?5 0.46 R3cH 167 140 Li.sub.1.3Al.sub.0.3Ge1.sub..7(PO.sub.4).sub.3 1.91E?4 R3cH 167 140 Li.sub.1.4Al.sub.0.4Ge1.sub..6(PO.sub.4).sub.3 3.17E?4 0.37 R3cH 167 140 Li.sub.1.5Al.sub.0.5Ge1.sub..5(PO.sub.4).sub.3 3.45E?4 R3cH 167 140 Li.sub.1.6Al.sub.0.6Ge1.sub..4(PO.sub.4).sub.3 3.94E?4 0.37 R3cH 167 140 Li.sub.1.7Al.sub.0.7Ge1.sub..3(PO.sub.4).sub.3 2.75E?4 R3cH 167 140 Li.sub.1.8Al.sub.0.8Ge1.sub..2(PO.sub.4).sub.3 1.23E?4 0.43 R3cH 167 140 LiGe.sub.2(PO.sub.4).sub.3 3.12E?9 0.60 R3cH 167 141 Li.sub.0.86Hf.sub.2.035(PO.sub.4).sub.3 9.2E?8 0.48 R3cH 167 11 Li.sub.1.7Al.sub.0.3Ti.sub.1.6(PO.sub.4).sub.3 5E?5 R3cH 167 142 Li.sub.1.2In.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 8.22E?5 0.32 R3cH 167 143 Li.sub.1.3Al.sub.0.2Sc.sub.0.1Ti.sub.1.7(PO.sub.4).sub.3 9.72E?4 0.25 R3cH 167 144 Li.sub.1.3Al.sub.0.15Sc.sub.0.15Ti.sub.1.7(PO.sub.4).sub.3 1.24E?3 0.23 R3cH 167 144 Li.sub.1.3Al.sub.0.1Sc.sub.0.2Ti.sub.1.7(PO.sub.4).sub.3 4.29E?4 0.26 R3cH 167 144 Li.sub.1.3Sc.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 4.52E?4 0.25 R3cH 167 144 Li.sub.1.3Al.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 1.13E?3 0.23 R3cH 167 257190 144 LiTi(PO.sub.4).sub.3 6E?5 0.33 R3c 167 145 Li.sub.1.05Al.sub.0.05Ti.sub.0.95(PO.sub.4).sub.3 1.1E?3 0.31 R3c 167 145 Li.sub.1.1Al.sub.0.1Ti.sub.0.9(PO.sub.4).sub.3 6.7E?4 0.32 R3c 167 145 Li.sub.1.2Al.sub.0.2Ti.sub.0.8(PO.sub.4).sub.3 4.0E?3 0.31 R3c 167 145 Li.sub.1.3Al.sub.0.3Ti.sub.0.7(PO.sub.4).sub.3 6.2E?3 0.30 R3c 167 145 Li.sub.1.4Al.sub.0.4Ti.sub.0.6(PO.sub.4).sub.3 3.3E?3 0.29 R3c 167 145 Li.sub.1.05Cr.sub.0.05Ti.sub.0.95(PO.sub.4).sub.3 1.8E?4 0.33 R3c 167 145 Li.sub.1.1Cr.sub.0.1Ti.sub.0.9(PO.sub.4).sub.3 2.6E?4 0.32 R3c 167 145 Li.sub.1.2Cr.sub.0.2Ti.sub.0.8(PO.sub.4).sub.3 4.3E?4 0.31 R3c 167 145 Li.sub.1.3Cr.sub.0.3Ti.sub.0.7(PO.sub.4).sub.3 2.9E?4 0.32 R3c 167 145 Li.sub.1.05Fe.sub.0.05Ti.sub.0.95(PO.sub.4).sub.3 1.3E?4 0.34 R3c 167 145 Li.sub.1.1Fe.sub.0.1Ti.sub.0.9(PO.sub.4).sub.3 6.3E?4 0.34 R3c 167 145 Li.sub.1.2Fe.sub.0.2Ti.sub.0.8(PO.sub.4).sub.3 1.4E?3 0.32 R3c 167 145 Li.sub.1.3Fe.sub.0.3Ti.sub.0.7(PO.sub.4).sub.3 2.3E?3 0.31 R3c 167 145 Li.sub.1.5Fe.sub.0.5Ti.sub.0.5(PO.sub.4).sub.3 2.7E?4 0.32 R3c 167 145 LiGe.sub.2(PO.sub.4).sub.3 3.37E?7 0.38 R3c 167 146 Li.sub.1.3Al.sub.0.3Ge.sub.1.7(PO.sub.4).sub.3 1.42E?4 0.37 R3c 167 146 Li.sub.1.7Al.sub.0.7Ge.sub.1.3(PO.sub.4).sub.3 2.04E?4 R3c 167 146 Li.sub.1.3Cr.sub.0.3Ge.sub.1.7(PO.sub.4).sub.3 8.87E?5 0.39 R3c 167 146 Li.sub.1.5Cr.sub.0.5Ge.sub.1.5(PO.sub.4).sub.3 1.21E?4 0.37 R3c 167 146 Li.sub.1.7Cr.sub.0.7Ge.sub.1.3(PO.sub.4).sub.3 2.46E?5 R3c 167 146 Li.sub.1.3Ga.sub.0.3Ge.sub.1.7(PO.sub.4).sub.3 4.47E?5 0.38 R3c 167 146 Li.sub.1.5Ga.sub.0.5Ge.sub.1.5(PO.sub.4).sub.3 2.01E?5 R3c 167 146 Li.sub.1.3Fe.sub.0.3Ge.sub.1.7(PO.sub.4).sub.3 2.99E?5 0.39 R3c 167 146 Li.sub.1.5Fe.sub.0.5Ge.sub.1.5(PO.sub.4).sub.3 2.56E?5 R3c 167 146 Li.sub.1.3Sc.sub.0.3Ge.sub.1.7(PO.sub.4).sub.3 5.59E?5 R3c 167 146 Li.sub.1.3In.sub.0.3Ge.sub.1.7(PO.sub.4).sub.3 9.22E?6 R3c 167 146 Li.sub.1.5In.sub.0.5Ge.sub.1.5(PO.sub.4).sub.3 5.81E?6 R3c 167 146 Li.sub.1.5Al.sub.0.5Ge.sub.1.5(PO.sub.4).sub.3 2.86E?4 0.38 R3c 167 263764 146 LiIO.sub.3 1.90E?07 P6.sub.3 173 35473 147 Li.sub.9Mg.sub.3(PO.sub.4).sub.4F.sub.3 .sup.<1E?10 0.835 P6.sub.3 173 426103 148 Pb.sub.6.12Ca.sub.1.9Li.sub.1.96(PO.sub.4).sub.6 .sup.<1E?10 1.05 P6.sub.3/m 176 59615 149 LiNdSiO.sub.4 .sup.<1E?10 P6.sub.3/m 176 150 LiDySiO.sub.4 .sup.<1E?10 P6.sub.3/m 176 150 Li.sub.2La.sub.8Si.sub.6O.sub.25 .sup.<1E?10 P6.sub.3/m 176 150 Li.sub.3La.sub.7Si.sub.6O.sub.24 .sup.<1E?10 P6.sub.3/m 176 150 Li.sub.0.284Sm.sub.4.512Si.sub.3O.sub.12.91 .sup.<1E?10 P6.sub.3/m 176 83279 150 LiLa.sub.9Si.sub.6O.sub.26 .sup.<1E?10 P6.sub.3/m 176 291218 150 LiEu.sub.9Si.sub.6O.sub.26 .sup.<1E?10 P6.sub.3/m 176 291220 150 LiAlSiO.sub.4 2.00E?09 0.68 P6.sub.422 181 55665 151 Li.sub.3(NH.sub.2).sub.2I 1E?5 0.58 P6.sub.3mc 186 167528 152 Ba.sub.3LiTa.sub.5ZrSi.sub.4O.sub.26 .sup.<1E?10 0.79 P62m 189 239277 153 Li.sub.3N 1.2E?3 0.25 P6/mmm 191 26540 154 Li.sub.3N 3.00E?04 0.26 P6/mmm 191 156894 155 Fe.sub.2Na.sub.2K(Li.sub.3Si.sub.12O.sub.30) .sup.<1E?10 1.22 P6/mcc 192 235750 156 Li.sub.3P 7.03E?4 0.18 P6.sub.3/mmc 194 642223 157 Li.sub.5.5K.sub.0.25La.sub.2.75Nb.sub.2O.sub.12 3.19E?3 0.49 I2.sub.13 199 158 Li.sub.5.5La.sub.3Nb.sub.1.75In.sub.0.25O.sub.12 8.07E?3 0.49 I2.sub.13 199 158 Li.sub.6BaLa.sub.2Nb.sub.2O.sub.12 6E?6 0.44 I2.sub.13 199 159 Li.sub.5La.sub.3Nb.sub.2O.sub.12 8E?6 0.43 I2.sub.13 199 54865 159 (K.sub.0.1Li.sub.0.9)(SbO.sub.3) 1.36E?8 Pn3Z 201 200984 160 Li.sub.8GeP.sub.4 1.8E?5 0.435 Pa3 205 ?-Li.sub.8GeP.sub.4 235184 161 Li.sub.8SiP.sub.4 4.5E?5 0.404 Pa3 205 235186 161 Li.sub.3AlN.sub.2 5.00E?08 0.45 Ia3 206 257464 162 Li.sub.2MgTi.sub.3O.sub.8 .sup.<1E?10 0.71 P4.sub.332 212 86165 163 Li.sub.2CoTi.sub.3O.sub.8 .sup.<1E?10 1.33 P4.sub.332 212 86166 163 Li.sub.2CoGe.sub.3O.sub.8 .sup.<1E?10 1.49 P4.sub.332 212 86167 163 Li.sub.2ZnGe.sub.3O.sub.8 .sup.<1E?10 2.14 P4.sub.332 212 86169 163 (Li.sub.0.61Mg.sub.0.39)(Li.sub.0.46Mg.sub.0.005Ti.sub.0.035)Ti.sub.1.5O.sub.4 6.56E?10 0.685 P4.sub.332 212 168144 164 (Li.sub.0.55Mg.sub.0.45)(Li.sub.0.445Mg.sub.0.055)Ti.sub.1.5O.sub.4 1.53E?11 0.786 P4.sub.332 212 168145 164 Li.sub.5NI.sub.2 4.00E?6 F43m 216 16800 165 Li.sub.2VCl.sub.4 6.95E?6 F43m 216 74959 166 Li.sub.6PS.sub.5C.sub.l0.25Br.sub.0.75 1.86E?3 0.328 F43m 216 167 Li.sub.6PS.sub.5Cl 2.05E?3 0.452 F43m 216 259200 167 Li.sub.6PS.sub.5Cl.sub.0.5Br.sub.0.5 3.33E?3 0.367 F43m 216 259201 167 Li.sub.6PS.sub.5Br 1.15E?3 0.303 F43m 216 259202 167 Li.sub.6PS.sub.5Br.sub.0.5I.sub.0.5 2.62E?5 0.312 F43m 216 259203 167 Li.sub.6PS.sub.5I 1.3E?6 0.383 F43m 216 259204 167 Li.sub.6PS.sub.5Cl.sub.0.75Br.sub.0.25 2.26E?3 0.408 F43m 216 259206 167 Li.sub.6PS.sub.5Br.sub.0.75I.sub.0.25 1.12E?4 0.321 F43m 216 259209 167 Li.sub.6PS.sub.5Br.sub.0.25I.sub.0.75 4.72E?6 0.351 F43m 216 259211 167 Li.sub.6PS.sub.5Br 7.01E?4 0.194 F43m 216 234584 168 Li.sub.6.025P.sub.0.975Si.sub.0.025S.sub.5Br 8.78E?4 0.196 F43m 216 234585 168 Li.sub.6.05P.sub.0.95Si.sub.0.05S.sub.5Br 4.37E?4 0.173 F43m 216 234586 168 Li.sub.6.075P.sub.0.925Si.sub.0.075S.sub.5Br 8.73E?4 0.178 F43m 216 234587 168 Li.sub.6.1P.sub.0.95Si.sub.0.1S.sub.5Br 7.99E?4 0.22 F43m 216 234588 168 Li.sub.6.125P.sub.0.875Si.sub.0.125S.sub.5Br 9.02E?4 0.189 F43m 216 234589 168 Li.sub.6.175P.sub.0.825Si.sub.0.175S.sub.5Br 9.31E?4 0.142 F43m 216 234591 168 Li.sub.6.2P.sub.0.8Si.sub.0.2S.sub.5Br 1.69E?3 0.25 F43m 216 234592 168 Li.sub.6.225P.sub.0.775Si.sub.0.225S.sub.5Br 1.08E?3 0.248 F43m 216 234593 168 Li.sub.6.25P.sub.0.75Si.sub.0.25S.sub.5Br 1.41E?3 0.223 F43m 216 234594 168 Li.sub.6.3P.sub.0.7Si.sub.0.3S.sub.5Br 1.65E?3 0.236 F43m 216 234595 168 Li.sub.6.35P.sub.0.65Si.sub.0.35S.sub.5Br 2.34E?3 0.142 F43m 216 234596 168 Li.sub.6.5P.sub.0.5Si.sub.0.5S.sub.5Br 2.19E?3 0.27 F43m 216 234597 168 Li.sub.7Ge.sub.3PS.sub.12 1.1E?4 0.259 F43m 216 258187 169 Li.sub.6B.sub.0.9PH.sub.3.6S.sub.4.9 1.8E?3 0.166 F43m 216 264526 170 Li.sub.6PS.sub.5Cl 1.30E?03 0.33 F43m 216 171 Li.sub.6PS.sub.5Br 2.77E?3 0.31 F43m 216 267193 172 Li.sub.6P(S.sub.4.9Se.sub.0.1)Br 3.20E?3 0.33 F43m 216 267194 172 Li.sub.6P(S.sub.4.8Se.sub.0.2)Br 3.92E?3 0.34 F43m 216 267195 172 Li.sub.6P(S.sub.4.7Se.sub.0.3)Br 3.62E?3 0.33 F43m 216 267196 172 Li.sub.6P(S.sub.4.6Se.sub.0.4)Br 3.64E?3 0.33 F43m 216 267197 172 Li.sub.6P(S.sub.4.5Se.sub.0.5)Br 2.68E?3 0.34 F43m 216 267198 172 Li.sub.6P(S.sub.4.4Se.sub.0.6)Br 2.78E?3 0.34 F43m 216 267199 172 Li.sub.6P(S.sub.4.3Se.sub.0.7)Br 3.01E?3 0.35 F43m 216 267200 172 Li.sub.6P(S.sub.4.2Se.sub.0.8)Br 3.48E?3 0.34 F43m 216 267201 172 Li.sub.6P(S.sub.4.1Se.sub.0.9)Br 3.82E?3 0.34 F43m 216 267202 172 Li.sub.6P(S.sub.4Se)Br 3.61E?3 0.34 F43m 216 267203 172 Li.sub.6PO.sub.5Cl 5.54E?10 0.66 F43m 216 421479 173 Li.sub.6PS.sub.5Br 3.2E?5 0.32 F43m 216 234598 174 Li.sub.6PS.sub.5Cl 3.3E?5 0.38 F43m 216 259205 174 Li.sub.6PS.sub.5I 2.2E?4 0.26 F43m 216 259212 174 Li.sub.6PS.sub.5I 1.26E?6 0.38 F43m 216 175 Li.sub.6P.sub.0.92Ge.sub.0.08S.sub.5I 9.02E?6 0.39 F43m 216 175 Li.sub.6P.sub.0.85Ge.sub.0.15S.sub.5I 3.99E?5 0.36 F43m 216 175 Li.sub.6P.sub.0.75Ge.sub.0.25S.sub.5I 3.26E?5 0.36 F43m 216 175 Li.sub.6P.sub.0.74Ge.sub.0.26S.sub.5I 1.51E?4 0.30 F43m 216 175 Li.sub.6P.sub.0.64Ge.sub.0.36S.sub.5I 6.58E?4 0.24 F43m 216 175 Li.sub.6P.sub.0.53Ge.sub.0.47S.sub.5I 1.52E?3 0.24 F43m 216 175 Li.sub.6P.sub.0.48Ge.sub.0.52S.sub.5I 1.83E?3 0.23 F43m 216 175 Li.sub.6P.sub.0.31Ge.sub.0.69S.sub.5I 5.16E?3 0.24 F43m 216 175 Li.sub.6P.sub.0.21Ge.sub.0.79S.sub.5I 5.41E?3 0.25 F43m 216 175 Li.sub.6PS.sub.5Cl 1.31E?6 0.38 F43m 216 176 Li.sub.6PS.sub.5Br 2.41E?5 0.16 F43m 216 259208 176 Li.sub.6PS.sub.5I 4.1E?7 0.32 F43m 216 418489 176 Li.sub.6PS.sub.5I 9.24E?5 F43m 216 177 Li.sub.6.1P.sub.0.9Sn.sub.0.1S.sub.5I 1.61E?4 F43m 216 177 Li.sub.6.2P.sub.0.8Sn.sub.0.2S.sub.5I 2.32E?4 F43m 216 177 Li.sub.6.25P.sub.0.75Sn.sub.0.25S.sub.5I 2.92E?4 F43m 216 177 Li.sub.6.3P.sub.0.7Sn.sub.0.3S.sub.5I 3.06E?4 F43m 216 177 Li.sub.6.5P.sub.0.5Sn.sub.0.5S.sub.5I 2.35E?4 F43m 216 177 Li.sub.6.4P.sub.0.6Ge.sub.0.4S.sub.5I 2.51E?4 F43m 216 177 Li.sub.6.45P.sub.0.55Ge.sub.0.45S.sub.5I 3.65E?4 F43m 216 177 Li.sub.6.5P.sub.0.5Ge.sub.0.5S.sub.5I 5.42E?4 F43m 216 177 Li.sub.6.55P.sub.0.45Ge.sub.0.55S.sub.5I 4.11E?4 F43m 216 177 Li.sub.6.6P.sub.0.4Ge.sub.0.6S.sub.5I 2.74E?4 F43m 216 177 Li.sub.6.8P.sub.0.2Ge.sub.0.8S.sub.5I 5.21E?5 F43m 216 177 LiCe(BH.sub.4).sub.3Cl 1.03E?4 I43m 217 185218 178 Li.sub.7PN.sub.4 1.60E?07 0.4 P43n 218 69017 95 ?-Li.sub.8GeP.sub.4 8.6E?5 0.394 P43n 218 ?-Li.sub.8GeP.sub.4 235185 161 Li.sub.4B.sub.7O.sub.12Cl 2.4E?5 F43c 219 1125 179 Fe.sub.0.16La.sub.2.95Li.sub.5.68Zr.sub.2O.sub.12 9.35E?4 0.29 I43d 220 431391 180 Fe.sub.0.19La.sub.2.95Li.sub.5.57Zr.sub.2O.sub.12 1.38E?3 0.28 I43d 220 431392 180 Li.sub.3ClO 2.5E?2 Pm3m 221 181 Li.sub.2.99Ba.sub.0.005Cl.sub.0.5I.sub.0.5 2.5E?3 0.06 Pm3m 221 181 Li.sub.0.31La.sub.0.63((Ti.sub.0.9Co.sub.0.1)O.sub.3 2.60E?4 Pm3m 221 151533 182 (La.sub.0.49Li.sub.0.461Sr.sub.0.049)(TiO.sub.3) 7.09E?4 0.33 Pm3m 221 190825 183 (La.sub.0.46Li.sub.0.429Sr.sub.0.111)(TiO.sub.3) 1.97E?4 0.33 Pm3m 221 190826 183 (La.sub.0.402Li.sub.0.368Sr.sub.0.230)(TiO.sub.3) 2.87E?5 0.36 Pm3m 221 190827 183 Li.sub.2(OH).sub.0.9F.sub.0.1Cl 3.86E?5 0.52 Pm3m 221 184 Li.sub.2(OH)Br 1.20E?6 0.75 Pm3m 221 200874 184 Li.sub.9NS.sub.3 8.30E?07 0.52 Pm3m 221 240749 185 (La.sub.0.55Li.sub.0.45)(Ti.sub.0.9Al.sub.0.1)O.sub.3 1.51E?3 Pm3m 221 254045 186 (La.sub.0.6Li.sub.0.4)(Ti.sub.0.8Al.sub.0.2)O.sub.3 5.68E?4 Pm3m 221 254046 186 (La.sub.0.65Li.sub.0.35)(Ti.sub.0.7Al.sub.0.3)O.sub.3 1.61E?4 Pm3m 221 254047 186 (La.sub.0.7Li.sub.0.3)(Ti.sub.0.6Al.sub.0.4)O.sub.3 1.04E?7 Pm3m 221 254048 186 (Li.sub.0.16Sr.sub.0.69)(Ga.sub.0.25Ta.sub.0.75)O.sub.3 3.69E?6 0.359 Pm3m 221 291520 187 Li.sub.0.375Sr.sub.0.4375Zr.sub.0.25Ta.sub.0.75O.sub.3 2.0E?4 0.26 Pm3m 221 188 Li.sub.0.25Sr.sub.0.625Ta.sub.0.5Zr.sub.0.5O.sub.3 3.34E?7 0.42 Pm3m 221 188 Li.sub.0.375Sr.sub.0.4375Hf.sub.0.25Ta.sub.0.75O.sub.3 3.8E?4 0.36 Pm3m 221 189 Li.sub.0.375Sr.sub.0.4375Zr.sub.0.25Nb.sub.0.75O.sub.3 2.00E?5 0.26 Pm3m 221 190 Li.sub.0.25Sr.sub.0.625Zr.sub.0.5Nb.sub.0.5O.sub.3 2.75E?7 0.36 Pm3m 221 190 Li.sub.2.99Ba.sub.0.005ClO 2.5E?2 0.13 Pm3m 221 191 Li.sub.2.99Ba.sub.0.005Cl.sub.0.5I.sub.0.5O 3.37E?3 Pm3m 221 191 Sm.sub.0.5Li.sub.0.42TiO.sub.2.96 3.93E?10 0.58 Pm3m 221 86 La.sub.0.52Li.sub.0.35TiO.sub.2.96 9.11E?4 0.32 Pm3m 221 86 La.sub.0.61Li.sub.0.15TiO.sub.3 2.06E?4 Pm3m 221 192 La.sub.0.58Li.sub.0.24TiO.sub.3 7.22E?4 Pm3m 221 192 La.sub.0.55Li.sub.0.33TiO.sub.3 1.58E?3 Pm3m 221 192 La.sub.0.54Li.sub.0.36TiO.sub.3 9.79E?3 Pm3m 221 192 La.sub.0.52Li.sub.0.42TiO.sub.3 7.21E?4 Pm3m 221 192 La.sub.0.5Sr.sub.0.06Li.sub.0.06TiO.sub.3 1.13E?5 0.37 Pm3m 221 193 La.sub.0.56Sr.sub.0.1Li.sub.0.1TiO.sub.3 1.37E?5 0.37 Pm3m 221 193 La.sub.0.51Sr.sub.0.15Li.sub.0.15TiO.sub.3 5.3E?5 0.38 Pm3m 221 193 La.sub.0.41Sr.sub.0.25Li.sub.0.25TiO.sub.3 7.64E?5 0.35 Pm3m 221 193 La.sub.0.385Sr.sub.0.275Li.sub.0.275TiO.sub.3 6.04E?5 0.37 Pm3m 221 193 La.sub.0.36Sr.sub.0.3Li.sub.0.3TiO.sub.3 1.92E?5 0.35 Pm3m 221 193 La.sub.0.61Li.sub.0.18TiO3 2.09E?4 Pm3m 221 97 La.sub.0.58Li.sub.0.27TiO3 8.32E?4 Pm3m 221 97 La.sub.0.56Li.sub.0.33TiO3 1.30E?3 Pm3m 221 97 La.sub.0.55Li.sub.0.36TiO3 1.54E?3 0.33 Pm3m 221 97 La.sub.0.54Li.sub.0.39TiO3 1.25E?3 Pm3m 221 97 La.sub.0.52Li.sub.0.45TiO3 7.85E?4 Pm3m 221 97 La.sub.0.51Li.sub.0.34TiO.sub.2.94 7E?5 0.36 Pm3m 221 62 Li.sub.3OBr 1.10E?06 0.74 Pm3m 221 67265 194, 195 Li.sub.7.2N.sub.1.6Cl.sub.2.4 8.4E?7 0.49 Fm3m 225 49646 131 Li.sub.6NI.sub.3 3.70E?06 Fm3m 225 83380 165 Li.sub.0.19La.sub.0.67(Ti.sub.0.9Co.sub.0.1)O.sub.3 1.08E?4 Fm3m 225 151535 182 Li.sub.6NBr.sub.3 1.00E?08 0.69 Fm3m 225 84091 196 LiI 1E?7 Fm3m 225 414244 197 Li(Li.sub.0.34Ti.sub.1.66)O.sub.4 6.03E?8 0.506 Fd3m 227 168137 164 (Li.sub.0.916Mg.sub.0.084)(Li.sub.0.352Mg.sub.0.016Ti.sub.1.634)O.sub.4 1.73E?8 0.564 Fd3m 227 168139 164 (Li.sub.0.826Mg.sub.0.174)(Li.sub.0.374Mg.sub.0.026Ti.sub.1.60)O.sub.4 4.24E?9 0.615 Fd3m 227 168141 164 (Li.sub.0.74Mg.sub.0.26)(Li.sub.0.40Mg.sub.0.04Ti.sub.1.56)O.sub.4 1.51E?9 0.639 Fd3m 227 168142 164 Li.sub.2MnCl.sub.4 4.79E?6 Fd3m 227 69678 166 Li.sub.2MgCl.sub.4 6.24E?7 Fd3m 227 74957 166 Li.sub.1.9Mn.sub.0.9Ga.sub.0.1Cl.sub.4 2.37E?7 Fd3m 227 50305 198 Li.sub.1.65Mn.sub.0.65In.sub.0.35Cl.sub.4 9.9E?8 Fd3m 227 50306 198 LiCdCl.sub.4 5.80E?07 0.44 Fd3m 227 74958 199 LiSrNb.sub.2O.sub.6F .sup.<1E?10 0.604 Fd3m 227 236009 200 LiSrTa.sub.2O.sub.6F .sup.<1E?10 0.604 Fd3m 227 236010 200 LiSr.sub.0.9Nb.sub.2O.sub.6F.sub.0.8 .sup.<1E?10 0.709 Fd3m 227 236011 200 LiSr.sub.0.9Ta.sub.2O.sub.6F.sub.0.8 .sup.<1E?10 0.76 Fd3m 227 236012 200 Li.sub.1.1SrNb.sub.1.9Zr.sub.0.1O.sub.6F .sup.<1E?10 0.622 Fd3m 227 236013 200 Li.sub.1.1SrTa.sub.1.9Zr.sub.0.1O.sub.6F .sup.<1E?10 0.693 Fd3m 227 236014 200 Li.sub.6SrLa.sub.2Nb.sub.2O.sub.12 4.2E?6 0.5 Ia3d 230 157628 159 Li.sub.6CaLa.sub.2Nb.sub.2O.sub.12 1.6E?6 0.55 Ia3d 230 161386 159 Li.sub.5.25Ba.sub.0.25La.sub.2.75Ta.sub.2O.sub.12 6.03E?6 0.479 Ia3d 230 201 Li.sub.5.5Ba.sub.0.5La.sub.2.5Ta.sub.2O.sub.12 1.35E?5 0.455 Ia3d 230 201 Li.sub.6.25Ba.sub.1.25La.sub.1.75Ta.sub.2O.sub.12 5.05E?5 0.395 Ia3d 230 201 Li.sub.6.5Ba.sub.1.5La.sub.1.5Ta.sub.2O.sub.12 3.2E?5 0.402 Ia3d 230 201 Li.sub.6.75Ba.sub.1.75La.sub.1.25Ta.sub.2O.sub.12 1.25E?5 0.418 Ia3d 230 201 Li.sub.7Ba.sub.2LaTa.sub.2O.sub.12 3.00E?6 0.442 Ia3d 230 201 Li.sub.5La.sub.3Ta.sub.2O.sub.12 4.33E?6 0.50 Ia3d 230 154400 201 Li.sub.6BaLa.sub.2Ta.sub.2O.sub.12 3.02E?5 0.419 Ia3d 230 237201 201 Li.sub.7La.sub.3Zr.sub.1.89Al.sub.0.15O.sub.12 3.4E?4 0.334 Ia3d 230 202 Li.sub.7.06La.sub.3Y.sub.0.06Zr.sub.1.94O.sub.12 9.56E?4 0.26 Ia3d 230 203 Li.sub.6.25La.sub.3Zr.sub.2Ga.sub.0.25O.sub.12 3.5E?4 Ia3d 230 204 Li.sub.7La.sub.3Zr.sub.2O.sub.12 1.2E?4 Ia3d 230 205 Li.sub.6.8La.sub.3Zr.sub.1.8Ta.sub.0.2O.sub.12 2.8E?4 Ia3d 230 205 Li.sub.6.6La.sub.3Zr.sub.1.6Ta.sub.0.4O.sub.12 7.3E?4 Ia3d 230 205 Li.sub.6.5La.sub.3Zr.sub.1.5Ta.sub.0.5O.sub.12 9.2E?4 Ia3d 230 205 Li.sub.6.4La.sub.3Zr.sub.1.4Ta.sub.0.6O.sub.12 1.0E?3 0.35 Ia3d 230 205 Li.sub.6.2La.sub.3Zr.sub.1.2Ta.sub.0.8O.sub.12 3.2E?4 Ia3d 230 205 Li.sub.6La.sub.3ZrTaO.sub.12 1.6E?4 Ia3d 230 205 Li.sub.7La.sub.3Zr.sub.2O.sub.12 1.2E?4 Ia3d 230 205 Li.sub.6.8La.sub.3Zr.sub.1.8Ta.sub.0.2O.sub.12 2.8E?4 Ia3d 230 205 Li.sub.6.6La.sub.3Zr.sub.1.6Ta.sub.0.4O.sub.12 7.3E?4 Ia3d 230 205 Li.sub.6.5La.sub.3Zr.sub.1.5Ta.sub.0.5O.sub.12 9.2E?4 Ia3d 230 205 Li.sub.6.4La.sub.3Zr.sub.1.4Ta.sub.0.6O.sub.12 1E?3 0.35 Ia3d 230 205 Li.sub.6.2La.sub.3Zr.sub.1.2Ta.sub.0.8O.sub.12 3.2E?4 Ia3d 230 205 Li.sub.6La.sub.3ZrTaO.sub.12 1.6E?4 Ia3d 230 205 Li.sub.6.8LasZr.sub.1.8Ta.sub.0.2O.sub.12 7.8E?4 Ia3d 230 206 Li.sub.6.75La.sub.3Zr.sub.1.75Ta.sub.0.25O.sub.12 8.8E?4 Ia3d 230 206 Li.sub.6.65La.sub.3Zr.sub.1.65Ta.sub.0.35O.sub.12 7.7E?4 Ia3d 230 206 Li.sub.6.6La.sub.3Zr.sub.1.6Ta.sub.0.4O.sub.12 7.2E?4 Ia3d 230 206 Li.sub.6.55La.sub.3Zr.sub.1.55Ta.sub.0.45O.sub.12 6.9E?4 Ia3d 230 206 Li.sub.6La.sub.3ZrTaO.sub.12 4.4E?4 Ia3d 230 206 Li.sub.5La.sub.3Ta.sub.2O.sub.12 1.6E?4 Ia3d 230 206 Li.sub.6.7La.sub.3Zr.sub.1.7Ta.sub.0.3O.sub.12 9.6E?4 0.37 Ia3d 230 206 Li.sub.6.5La.sub.3Zr.sub.1.5Ta.sub.0.5O.sub.12 6.7E?4 Ia3d 230 183686 206 Li.sub.6.05Ga.sub.0.25La.sub.3Zr.sub.2O.sub.11.8F.sub.0.2 1.28E?3 0.28 Ia3d 230 207 Li.sub.5.72Al.sub.0.26La.sub.3Zr.sub.1.5W.sub.0.25O.sub.12 4.9E?4 0.35 Ia3d 230 208 Li.sub.6.8La.sub.3Zr.sub.1.9Mo.sub.0.1O.sub.12 8.00E?5 0.46 Ia3d 230 209 Li.sub.6.6La.sub.3Zr.sub.1.8Mo.sub.0.2O.sub.12 3.11E?4 0.48 Ia3d 230 209 Li.sub.6.4La.sub.3Zr.sub.1.7Mo.sub.0.3O.sub.12 3.69E?4 0.49 Ia3d 230 209 Li.sub.6.2La.sub.3Zr.sub.1.6Mo.sub.0.4O.sub.12 3.40E?4 0.48 Ia3d 230 209 Li.sub.6.5La.sub.3Zr.sub.1.75Mo.sub.0.25O.sub.12 3.33E?4 0.39 Ia3d 230 239128 209 Li.sub.6.75La.sub.3Zr.sub.1.875Te.sub.0.125O.sub.12 3.30E?4 0.41 Ia3d 230 210 Li.sub.6.5La.sub.3Zr.sub.1.75Te.sub.0.25O.sub.12 1.02E?3 0.38 Ia3d 230 210 Li.sub.6.375La.sub.3Zr.sub.1.375Nb.sub.0.625O.sub.12 1.37E?3 0.25 Ia3d 230 211 Li.sub.5La.sub.3Ta.sub.2O.sub.12 1.2E?6 0.56 Ia3d 230 154400 212 Li.sub.5La.sub.3Nb.sub.2O.sub.12 1E?5 0.43 Ia3d 230 171171 212 Li.sub.5La.sub.3Bi.sub.2O.sub.12 4.00E?05 0.47 Ia3d 230 158372 213 Li.sub.6La.sub.2SrBi.sub.2O.sub.12 5.20E?05 0.43 Ia3d 230 158373 213 Li.sub.5Nd.sub.3Sb.sub.2O.sub.12 1.3E?7 0.67 Ia3d 230 159426 214 Li.sub.4Nd.sub.3TeSbO.sub.12 1.96E?6 0.64 Ia3d 230 159732 215 Li.sub.5La.sub.3Sb.sub.2O.sub.12 8.2E?6 0.51 Ia3d 230 161342 216 Li.sub.6SrLa.sub.2Sb.sub.2O.sub.12 6.6E?6 0.54 Ia3d 230 161343 216 Li.sub.6(La.sub.2Ca)(NbO.sub.6).sub.2 1.33E?6 Ia3d 230 161386 217 Li.sub.6(La.sub.2Sr)(NbO.sub.6).sub.2 3.69E?6 Ia3d 230 161387 217 Li.sub.6CaLa.sub.2Ta.sub.2O.sub.12 2.2E?6 0.5 Ia3d 230 163860 218 Li.sub.6BaLa.sub.2Ta.sub.2O.sub.12 1.3E?5 0.44 Ia3d 230 163861 218 Li.sub.6.15La.sub.3Zr.sub.1.75Ta.sub.0.25Ga.sub.0.2O.sub.12 4.1E?4 0.27 Ia3d 230 219 Li.sub.6.15La.sub.3Zr.sub.1.75Ta.sub.0.25Al.sub.0.2O.sub.12 3.7E?4 0.30 Ia3d 230 219 Li.sub.6.75La.sub.3Zr.sub.1.75Ta.sub.0.25O.sub.12 8.7E?4 0.22 Ia3d 230 183873 219 Li.sub.6.16Al.sub.0.28La.sub.3Zr.sub.2O.sub.12 6.1E?4 0.34 Ia3d 230 185539 220 Li.sub.7La.sub.3Zr.sub.2O.sub.12 1.97E?6 0.49 Ia3d 230 221 Li.sub.7La.sub.3Zr.sub.2O.sub.12-0.5 wt % Al 1.58E?4 Ia3d 230 221 Li.sub.7La.sub.3Zr.sub.2O.sub.12-0.9 wt % Al 3.2E?4 0.34 Ia3d 230 221 Li.sub.6.06Al.sub.0.2LasZr.sub.2O.sub.12 4E?4 0.34 Ia3d 230 185539 221 Li.sub.6BaLa.sub.2Ta.sub.2O.sub.12 2.45E?5 0.40 Ia3d 230 185602 222 Nd.sub.3Zr.sub.2Al.sub.0.5Li.sub.5.5O.sub.12 3.9E?5 0.56 Ia3d 230 189530 223 (Li.sub.6.26Al.sub.0.24)La.sub.3Zr.sub.2O.sub.12 3.1E?4 0.33 Ia3d 230 195182 224 Li.sub.6La.sub.3Nb.sub.1.5Y.sub.0.5O.sub.12 1.88E?4 Ia3d 230 237141 225 Li.sub.5.2La.sub.3Nb.sub.1.9Y.sub.0.1O.sub.12 6.39E?5 Ia3d 230 237143 225 Li.sub.5.4La.sub.3Nb.sub.1.8Y.sub.0.2O.sub.12 6.74E?5 Ia3d 230 237144 225 Li.sub.6.5La.sub.3Nb.sub.1.75Y.sub.0.25O.sub.12 9.18E?5 Ia3d 230 237145 225 Li.sub.6.5La.sub.3Nb.sub.1.25Y.sub.0.75O.sub.12 3.43E?4 Ia3d 230 237146 225 Li.sub.6Ba.sub.0.5Sr.sub.0.5La.sub.2Ta.sub.2O.sub.12 7.1E?6 0.45 Ia3d 230 237199 226 Li.sub.6SrLa.sub.2Ta.sub.2O.sub.12 5.4E?6 0.45 Ia3d 230 237200 226 Li.sub.6BaLa.sub.2Ta.sub.2O.sub.12 1.5E?5 0.47 Ia3d 230 237201 226 Li.sub.6CaLa.sub.2Ta.sub.2O.sub.12 2.2E?6 0.47 Ia3d 230 237202 226 Li.sub.6BaLa.sub.2Ta.sub.2O.sub.12 4E?5 0.4 Ia3d 230 227 Li.sub.6SrLa.sub.2Ta.sub.2O.sub.12 7E?6 0.5 Ia3d 230 227 Li.sub.6SrLa.sub.2Ta.sub.2O.sub.12 7E?6 0.5 Ia3d 230 237200 227 Li.sub.6BaLa.sub.2Ta.sub.2O.sub.12 4E?5 0.4 Ia3d 230 237201 227 Li.sub.5.74La.sub.3Zr.sub.1.5Ta.sub.0.5O.sub.12 9.03E?4 0.435 Ia3d 230 239663 228 La.sub.3Li.sub.5.08Ta.sub.1.51Zr.sub.0.39O.sub.12 1.03E?4 0.536 Ia3d 230 239664 228 Li.sub.51.2Al.sub.1.6La.sub.24Zr.sub.16O.sub.96 2.54E?4 0.36 Ia3d 230 241475 229 Li.sub.49.6Al.sub.1.6La.sub.24Zr.sub.14.4Ta.sub.1.6O.sub.96 6.14E?4 0.29 Ia3d 230 241476 229 Li.sub.6.5La.sub.3Hf.sub.1.5Ta.sub.0.5O.sub.12 4.0E?4 0.40 Ia3d 230 258921 230 Li.sub.6.5La.sub.3Sn.sub.1.5Ta.sub.0.5O.sub.12 1.9E?4 0.45 Ia3d 230 258922 230 Li.sub.5La.sub.3Ta.sub.2O.sub.12 1.59E?5 Ia3d 230 259164 231 Li.sub.5.3La.sub.3Ta.sub.1.85Sm.sub.0.15O.sub.12 7.11E?6 Ia3d 230 259165 231 Li.sub.5.5La.sub.3Ta.sub.1.75Sm.sub.0.25O.sub.12 5.17E?6 Ia3d 230 259166 231 Li.sub.5.70La.sub.3Ta.sub.1.65Sm.sub.0.35O.sub.12 2.15E?5 Ia3d 230 259167 231 Li.sub.5.90La.sub.3Ta.sub.1.55Sm.sub.0.45O.sub.12 1.18E?5 Ia3d 230 259168 231 Li.sub.6.10La.sub.3Ta.sub.1.45Sm.sub.0.55O.sub.12 1.40E?5 Ia3d 230 259169 231 Li.sub.7La.sub.3Zr.sub.2O.sub.12 5.69E?04 0.36 Ia3d 230 cubic LLZO 422259 232 Li.sub.5La.sub.3Nb.sub.2O.sub.12 4.99e-6 Ia3d 230 233 Li.sub.5La.sub.3Nb.sub.1.95Y.sub.0.05O.sub.12 1.32E?5 Ia3d 230 233 Li.sub.5La.sub.3Nb.sub.1.9Y.sub.0.1O.sub.12 1.43E?5 Ia3d 230 233 Li.sub.5La.sub.3Nb.sub.1.85Y.sub.0.15O.sub.12 5.85E?6 Ia3d 230 233 Li.sub.5La.sub.3Nb.sub.1.8Y0.sub..2O.sub.12 9.05E?6 Ia3d 230 233 Li.sub.5La.sub.3Nb.sub.1.75Y.sub.0.25O.sub.12 9.42E?6 Ia3d 230 233 Li.sub.6.24La.sub.3Zr.sub.2Al.sub.0.24O.sub.11.98 4.0E?4 0.26 Ia3d 230 234 Li.sub.7La.sub.3Zr.sub.2O.sub.120.3Ga 3.8E?5 0.37 Ia3d 230 235 Li.sub.7La.sub.3Zr.sub.2O.sub.120.4Ga 4.4E?5 0.36 Ia3d 230 235 Li.sub.7La.sub.3Zr.sub.2O.sub.120.5Ga 8.9E?5 0.36 Ia3d 230 235 Li.sub.7La.sub.3Zr.sub.2O.sub.12Ga 5.4E?4 0.32 Ia3d 230 235 La.sub.3Zr.sub.2Ga.sub.0.5Li.sub.5.5O.sub.12 1E?4 Ia3d 230 236 Li.sub.6.8La.sub.3Zr.sub.1.8Sb.sub.0.2O.sub.12 5.9E?5 0.39 Ia3d 230 237 Li.sub.6.6La.sub.3Zr.sub.1.6Sb.sub.0.4O.sub.12 7.7E?4 0.34 Ia3d 230 237 Li.sub.6.4La.sub.3Zr.sub.1.4Sb.sub.0.6O.sub.12 6.6E?4 0.36 Ia3d 230 237 Li.sub.6.2La.sub.3Zr.sub.1.2Sb.sub.0.8O.sub.12 4.5E?4 0.37 Ia3d 230 237 Li.sub.6La.sub.3ZrSbO.sub.12 2.6E?4 0.38 Ia3d 230 237 Li.sub.6.5La.sub.3Zr.sub.1.75Te.sub.0.25O.sub.120.07Al 4E?4 0.33 Ia3d 230 238 Li.sub.6.65La.sub.2.75Ba.sub.0.25Zr.sub.1.4Ta.sub.0.5Nb.sub.0.1O.sub.12 5.27E?4 0.26 Ia3d 230 239 Li.sub.6.4La.sub.3Zr.sub.1.4Ta.sub.0.6O.sub.12 7.24E?4 0.24 Ia3d 230 239 Li.sub.6.4La.sub.3Zr.sub.1.4Ta.sub.0.5Nb.sub.0.1O.sub.12 4.44E?4 0.27 Ia3d 230 239 Li.sub.6.4La.sub.3Zr.sub.1.4Ta.sub.0.4Nb.sub.0.2O.sub.12 4.55E?4 0.28 Ia3d 230 239 Li.sub.6.4La.sub.3Zr.sub.1.4Ta.sub.0.3Nb.sub.0.3O.sub.12 6.06E?4 0.26 Ia3d 230 239 Li.sub.7La.sub.3Zr.sub.2O.sub.12 1.74E?4 0.26 Ia3d 230 239 Li.sub.3Nd.sub.3Te.sub.2O.sub.12 .sup.<1E?10 1.22 Ia3d 230 240 Li.sub.7.131La.sub.3Zr.sub.2O.sub.12Al.sub.0.244 7.73E?5 Ia3d 230 241 Li.sub.6.949La.sub.3Zr.sub.2O.sub.12Al.sub.0.262 2.25E?4 Ia3d 230 241 Li.sub.6.835La.sub.3Zr.sub.2O.sub.12Al.sub.0.231 2.20E?4 Ia3d 230 241 Li.sub.6.660La.sub.3Zr.sub.2O.sub.12Al.sub.0.258 1.51E?4 Ia3d 230 241 Li.sub.6.75La.sub.3Zr.sub.1.75Ta.sub.0.25O.sub.12 4.1E?4 0.42 Ia3d 230 121 Li.sub.6.5La.sub.3Zr.sub.1.5Ta.sub.0.5O.sub.12 6.1E?4 0.4 Ia3d 230 121 Li.sub.6La.sub.3ZrTaO.sub.12 2.1E?4 0.42 Ia3d 230 121 Li.sub.3Gd.sub.3Te.sub.2O.sub.12 .sup.<1E?10 Ia3d 230 242 Li.sub.3Tb.sub.3Te.sub.2O.sub.12 .sup.<1E?10 Ia3d 230 242 Li.sub.3Er.sub.3Te.sub.2O.sub.12 .sup.<1E?10 Ia3d 230 242 Li.sub.3Lu.sub.3Te.sub.2O.sub.12 .sup.<1E10 Ia3d 230 242 Li.sub.2S*P.sub.2S.sub.5 3.2E?03 4 0.7Li.sub.2S0.3P.sub.2S.sub.5 5.4E?5 4 Li.sub.3.8Ge.sub.0.8P.sub.0.2S.sub.4 1.75E?6 0.466 14 Li.sub.3.6Ge.sub.0.6P.sub.0.4S.sub.4 1.74E?4 0.339 14 Li.sub.3.4Ge.sub.0.4P.sub.0.6S.sub.4 6.53E?4 0.275 14 Li.sub.3.35Ge.sub.0.35P.sub.0.65S.sub.4 1.53E?3 0.229 14 Li.sub.3.3Ge.sub.0.3P.sub.0.7S.sub.4 1.76E?3 0.221 14 Li.sub.3.2Ge.sub.0.2P.sub.0.8S.sub.4 5.57E?4 0.275 14 Li.sub.2.9Ca.sub.0.05InBr.sub.6 2.16E?4 25 Li.sub.2.86Ca.sub.0.07InBr.sub.6 4.04E?4 25 Li.sub.2.8Ca.sub.0.1InBr.sub.6 3.00E?4 25 Li.sub.2.7Ca.sub.0.15InBr.sub.6 6.97E?5 25 Li.sub.3.9Zn.sub.0.05GeS.sub.4 2.72E?7 0.517 71 Li.sub.3.8Zn.sub.0.1GeS.sub.4 9.95E?8 0.545 71 Li.sub.3.6Zn.sub.0.2GeS.sub.4 5.90E?8 0.539 71 Li.sub.7GeS.sub.3 9.7E?9 71 Li.sub.7ZnGeS.sub.4 1.4E?9 71 Li.sub.9.6P.sub.3S.sub.12 1.2E?3 0.259 102 Li.sub.1.3Al.sub.0.3Ge.sub.1.7(PO.sub.4).sub.3 8.24E?5 0.386 133 Li.sub.1.6Al.sub.0.6Ge.sub.1.4(PO.sub.4).sub.3 2.84E?4 0.430 133 LiTi.sub.2(PO.sub.4).sub.30.2Li.sub.2O 2.4E?4 134 LiTi.sub.2(PO.sub.4).sub.30.3Li.sub.2O 1.5E?3 134 LiTi.sub.2(PO.sub.4).sub.30.4Li.sub.2O 1.3E?4 134 Li.sub.1.3Al.sub.0.3Ti.sub.1.7(PO.sub.4).sub.30.3Li.sub.2O 3.5E?4 134 LiTi.sub.2(PO.sub.4).sub.3.sub.0.1Li.sub.4P.sub.2O.sub.7 1.6E?4 134 Li.sub.1.4Al.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 3.38E?3 0.30 LATP 243 Li.sub.1.2Ge.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 7.94E?5 0.27 LAGP 243 Li.sub.1.5Ge.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 1.90E?4 0.33 LAGP 243 Li.sub.1.2Al.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 3.38E?3 0.28 LATP 427619 243 Li.sub.3ClO 0.85E?3 0.26 194 Li.sub.3C.sub.10.5Br.sub.0.50 1.94E?3 0.18 194 Li.sub.3OCl 1.47E?4 0.26 194 Li.sub.3OCl.sub.0.5Br.sub.0.5 9.49E?4 0.18 194 Li.sub.6.6La.sub.2.6Ce.sub.0.4Zr.sub.2O.sub.12 1.44E?5 0.48 244 Li.sub.1.4Al.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 1.1E?03 245 80Li.sub.2S * 20P.sub.2S.sub.5 7.2E?04 246 0.8Li.sub.2S0.2P.sub.2S.sub.5 7.2E?4 246 0.75Li.sub.2S0.25P.sub.2S.sub.5 2.8E?4 246 Li.sub.2S*P.sub.2S.sub.5*P.sub.2S.sub.3 5.4E?03 247 Li.sub.7S*P.sub.2S.sub.5*Li.sub.3N 1.4E?03 248 Li.sub.7La.sub.3Nb.sub.1.9Y.sub.0.1O.sub.12 1.44E?5 0.55 233 Li.sub.7La.sub.3Zr.sub.2O.sub.12 2.35E?4 0.339 249 Li.sub.6.88La.sub.3Zr.sub.1.88Nb.sub.0.12O.sub.12 5.99E?4 0.319 249 Li.sub.6.75La.sub.3Zr.sub.1.75Nb.sub.0.25O.sub.12 7.71E?4 0.3 249 Li.sub.6.62La.sub.3Zr.sub.1.62Nb.sub.0.38O.sub.12 4.41E?4 0.31 249 Li.sub.6.5La.sub.3Zr.sub.1.5Nb.sub.0.5O.sub.12 2.98E?4 0.319 249 Li.sub.6La.sub.3ZrNbO.sub.12 1.50E?4 0.42 249 Li.sub.5La.sub.3Nb.sub.2O.sub.12 3E?5 0.44 249 Li.sub.7La.sub.3Hf.sub.2O.sub.12 2.4E?4 0.29 250 Li.sub.7GePS.sub.8 7E?3 0.22 251 Li.sub.10(Ge.sub.0.95Si.sub.0.05)P.sub.2S.sub.12 8.63E?3 0.251 252 Li.sub.10(Ge.sub.0.9Si.sub.0.1)P.sub.2S.sub.12 8.07E?3 0.26 252 Li.sub.10(Ge.sub.0.8Si.sub.0.2)P.sub.2S.sub.12 7.28E?3 0.261 252 Li.sub.10(Ge.sub.0.7Si.sub.0.3)P.sub.2S.sub.12 5.82E?3 0.265 252 Li.sub.10(Ge.sub.0.6Si.sub.0.4)P.sub.2S.sub.12 5.24E?3 0.28 252 Li.sub.10(Ge.sub.0.5Si.sub.0.5)P.sub.2S.sub.12 4.2E?3 0.284 252 Li.sub.10(Ge.sub.0.2Si.sub.0.8)P.sub.2S.sub.12 4.81E?3 0.269 252 Li.sub.10(Ge.sub.0.95Sn.sub.0.05)P.sub.2S.sub.12 7.8E?3 0.254 252 Li.sub.10(Ge.sub.0.9Sn.sub.0.1)P.sub.2S.sub.12 7.53E?3 0.256 252 Li.sub.10(Ge.sub.0.8Sn.sub.0.2)P.sub.2S.sub.12 7.06E?3 0.252 252 Li.sub.10(Ge.sub.0.7Sn.sub.0.3)P.sub.2S.sub.12 6.49E?3 0.254 252 Li.sub.10(Ge.sub.0.5Sn.sub.0.5)P.sub.2S.sub.12 6.17E?3 0.249 252 Li.sub.10(Ge.sub.0.4Sn.sub.0.6)P.sub.2S.sub.12 5.76E?3 0.265 252 Li.sub.10(Ge.sub.0.3Sn.sub.0.7)P.sub.2S.sub.12 5.56E?3 0.261 252 Li.sub.10(Ge.sub.0.2Sn.sub.0.8)P.sub.2S.sub.12 4.77E?3 0.269 252 0.5(Li.sub.2O) * 0.5(P.sub.2O.sub.5) 1.1E?9 0.71 253 0.58(Li.sub.2O) * 0.5(P.sub.2O.sub.5) 2E?8 0.60 253 0.6(Li.sub.2O) * 0.5(P.sub.2O.sub.5) 3E?8 0.61 253 0.63(Li.sub.2O) * 0.5(P.sub.2O.sub.5) 1.3E?7 0.56 253 0.66(Li.sub.2O) * 0.5(P.sub.2O.sub.5) 2.3E?7 0.55 253 0.7(Li.sub.2O) * 0.5(P.sub.2O.sub.5) 3E?7 0.57 253 0.2(Li.sub.2S) 0.8(GeS.sub.2) 1.1E?7 0.52 253 0.3(Li.sub.2S) 0.7(GeS.sub.2) 9.3E?7 0.48 253 0.4(Li.sub.2S) 0.6(GeS.sub.2) 2.9E?6 0.42 253 0.5(Li.sub.2S) 0.5(GeS.sub.2) 3.3E?5 0.35 253 0.6(Li.sub.2S) 0.4(GeS.sub.2) 9.2E?5 0.32 253 0.63(Li.sub.2S) 0.37(GeS.sub.2) 1.5E?4 0.34 253 0.66(Li.sub.2S) 0.34(GeS.sub.2) 1.0E?4 0.37 253 0.7(Li.sub.2S) 0.3(GeS.sub.2) 1.2E?4 0.34 253 Li.sub.2OP.sub.2O.sub.5 1.1E?9 0.71 253 0.58Li.sub.2O0.42P.sub.2O.sub.5 2.0E?8 0.60 253 0.6Li.sub.2O0.4P.sub.2O.sub.5 3.0E?8 0.61 253 0.63Li.sub.2O0.37P.sub.2O.sub.5 1.3E?7 0.56 253 0.66Li.sub.2O0.34P.sub.2O.sub.5 2.3E?7 0.55 253 0.7Li.sub.2O0.3P.sub.2O.sub.5 3.0E?7 0.57 253 0.2Li.sub.2S0.8GeS.sub.2 1.1E?7 0.52 253 0.3Li.sub.2S0.7GeS.sub.2 9.3E?7 0.48 253 0.4Li.sub.2S0.6GeS.sub.2 2.9E?6 0.42 253 0.5Li.sub.2S0.5GeS.sub.2 3.3E?5 0.35 253 0.6Li.sub.2S0.4GeS.sub.2 9.2E?5 0.32 253 0.63Li.sub.2S0.37GeS.sub.2 1.5E?4 0.34 253 0.66Li.sub.2S0.34GeS.sub.2 1.0E?4 0.37 253 0.7Li.sub.2S0.3GeS.sub.2 1.2E?4 0.34 253 Li.sub.6.55La.sub.3Zr.sub.2Ga.sub.0.15O.sub.12 1.3E?3 0.3 254 Li.sub.6.40La.sub.3Zr.sub.2Ga.sub.0.2O.sub.12 9E?4 0.3 254 Li.sub.6.10La.sub.3Zr.sub.2Ga.sub.0.25O.sub.12 7E?5 0.3 254 Li.sub.6.8La.sub.3Zr.sub.1.8Sb.sub.0.2O.sub.12 5.9E?5 0.39 255 Li.sub.6.6La.sub.3Zr.sub.1.6Sb.sub.0.4O.sub.12 7.7E?4 0.34 255 Li.sub.6.4La.sub.3Zr.sub.1.4Sb.sub.0.6O.sub.12 6.6E?4 0.36 255 Li.sub.6.2La.sub.3Zr.sub.1.2Sb.sub.0.8O.sub.12 4.5E?4 0.37 255 Li.sub.6La.sub.3ZrSbO.sub.12 2.6E?4 0.38 255 Li(In.sub.0.62Li.sub.1.38)Br.sub.3.92 4.9E?6 0.58 256 Li.sub.3InBr.sub.6 1.77E?4 257 Li.sub.3InBr.sub.4Cl.sub.2 7.58E?6 257 Li.sub.3InBr.sub.3Cl.sub.3 1.14E?4 257 Li.sub.3InBr.sub.2.5Cl.sub.3.5 3.60E?6 257 Li.sub.3InBr.sub.2Cl.sub.4 6.89E?8 257 Li.sub.1.8Mg.sub.1.1Cl.sub.4 1.52E?6 258 Li.sub.1.6Mg.sub.1.2Cl.sub.4 3.07E?6 258 Li.sub.1.34Mg.sub.1.33Cl.sub.4 3.07E?6 258 Li.sub.1.9Mn.sub.1.05Cl.sub.4 4.61E?6 258 Li.sub.1.72Mn.sub.1.14Cl.sub.4 3.62E?6 258 Li.sub.1.6Mn.sub.1.2Cl.sub.4 1.45E?5 258 Li.sub.1.52Mn.sub.1.24Cl.sub.4 1.85E?5 258 Li.sub.1.34Mn.sub.1.33Cl.sub.4 9.57E?6 258 Li.sub.1.94Cl.sub.1.03Cl.sub.4 2.56E?6 258 Li.sub.1.90Cd.sub.1.05Cl.sub.4 3.50E?6 258 Li.sub.2OHBrF 7.10E?7 259 Li.sub.2OHBr.sub.0.99F.sub.0.01 9.16E?7 259 Li.sub.2OHBr.sub.0.98F.sub.0.02 1.11E?6 259 Li.sub.2OHBr.sub.0.95F.sub.0.05 6.75E?7 259 Li.sub.2OHBr.sub.0.9F.sub.0.1 6.80E?7 259 Li.sub.2OHBr.sub.0.8F.sub.0.2 5.44E?7 259 Li.sub.3(OH).sub.2Cl 2.72E?8 0.88 260 Li.sub.5(OH).sub.3Cl.sub.2 2.52E?8 0.75 260 Li.sub.2OHCl 4.28E?8 0.56 260 Li.sub.5(OH).sub.2Cl.sub.3 1.48E?7 0.49 260 Li.sub.3OHCl.sub.2 8.92E?8 0.67 260 Li.sub.3.7Zn.sub.0.15GeO.sub.4 4.63E?7 261 Li.sub.3.5Zn.sub.0.25GeO.sub.4 2.42E?7 261 Li.sub.3.1Zn.sub.0.45GeO.sub.4 9.89E?8 261 Li.sub.2.8Zn.sub.0.6GeO.sub.4 1.27E?7 261 Li.sub.2.6Zn.sub.0.7GeO.sub.4 5.79E?8 261 Li.sub.2.3Zn.sub.0.85GeO.sub.4 4.23E?9 261 Li.sub.7La.sub.2.75Ca.sub.0.25Zr.sub.1.75Nb.sub.0.25O.sub.12 2.2E?4 0.35 262 Li.sub.1.5Cr.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 1.98E?4 0.29 263 Li.sub.3V.sub.2(PO.sub.4).sub.3 2.09E?7 263 Li.sub.3V.sub.1.8Al.sub.0.2(PO.sub.4).sub.3 1.88E?6 263 Li.sub.3V.sub.1.6Al.sub.0.4(PO.sub.4).sub.3 6.21E?6 263 Li.sub.3V.sub.1.4Al.sub.0.6(PO.sub.4).sub.3 9.34E?7 263 Li.sub.7P.sub.2.9Mn.sub.0.1S.sub.10.7I.sub.0.3 5.6E?3 0.22 264 0.3 Li.sub.2S * 0.7 SiS.sub.2 1.6E?6 0.46 265 0.4 Li.sub.2S * 0.6 SiS.sub.2 2.8E?5 0.38 265 0.5 Li.sub.2S * 0.5 SiS.sub.2 1.0E?4 0.32 265 0.6 Li.sub.2S * 0.4 SiS.sub.2 5.0E?4 0.25 265 (2Li.sub.2SP.sub.2S.sub.5) 1.12E?4 266 (2Li.sub.2SP.sub.2S.sub.5).sub.0.85(LiI).sub.0.15 2.35E?4 266 (2Li.sub.2SP.sub.2S.sub.5).sub.0.75(LiI).sub.0.25 3.96E?4 266 (2Li.sub.2SP.sub.2S.sub.5).sub.0.60(LiI).sub.0.40 7.60E?4 266 (2Li.sub.2SP.sub.2S.sub.5).sub.0.55(LiI).sub.0.45 1.12E?3 266 0.14SiS.sub.20.09P.sub.2S.sub.50.47Li.sub.2S0.30LiI 1.32E?3 0.34 267 0.26B.sub.2S.sub.30.3Li.sub.2S0.44LiI 1.57E?3 0.3 268 0.26B.sub.2S.sub.30.31Li.sub.2S0.43LiI 7.99E?4 0.33 268 0.27B.sub.2S.sub.30.32Li.sub.2S0.41LiI 4.25E?4 0.35 268 0.5SiS.sub.20.5Li.sub.2S 1.5E?4 0.34 269 0.1LiBr0.45SiS.sub.20.45Li.sub.2S 1.9E?4 0.30 269 0.2LiBr0.4SiS.sub.20.4Li.sub.2S 2.1E?4 0.33 269 0.25LiBr0.38SiS.sub.20.38Li.sub.2S 2.4E?4 0.31 269 0.3LiBr0.3SiS.sub.20.35Li.sub.2S 3.2E?4 0.33 269 0.35LiBr0.33SiS.sub.20.33Li.sub.2S 2.3E?4 0.38 269 0.4LiBr0.3SiS.sub.20.3Li.sub.2S 1.1E?4 0.42 269 SiS.sub.2Li.sub.2S 1.20E?4 0.35 270 0.9(SiS.sub.2Li.sub.2S)0.1LiCl 1.84E?4 0.34 270 0.8(SiS.sub.2Li.sub.2S)0.2LiCl 2.35E?4 0.33 270 0.75(SiS.sub.2Li.sub.2S)0.25LiCl 2.66E?4 0.35 270 0.7(SiS.sub.2Li.sub.2S)0.3LiCl 2.33E?4 0.35 270 0.65(SiS.sub.2Li.sub.2S)0.35LiCl 1.78E?4 0.36 270 0.6(SiS.sub.2Li.sub.2S)0.4LiCl 0.93E?4 0.34 270 (0.4SiS.sub.20.6Li.sub.2S) 5.3E?4 0.33 271 0.9(0.4SiS.sub.20.6Li.sub.2S)0.1LiI 6.5E?4 0.31 271 0.8(0.4SiS.sub.20.6Li.sub.2S)0.2LiI 7.7E?4 0.30 271 0.7(0.4SiS.sub.20.6Li.sub.2S)0.3LiI 1.15E?3 0.29 271 0.6(0.4SiS.sub.20.6Li.sub.2S)0.4LiI 1.78E?3 0.28 271 0.55(0.4SiS.sub.20.6Li.sub.2S)0.45LiI 1.41E?3 0.29 271 0.24SiS.sub.20.36Li.sub.2S0.4LiI 1.8E?3 0.28 272 0.28SiS.sub.20.42Li.sub.2S0.30LiI 1.8E?3 0.31 273 0.14SiS.sub.20.09P.sub.2S.sub.50.47Li.sub.2S0.30LiI 2.1E?3 0.34 273 0.27SiS.sub.20.03Al.sub.2S.sub.30.30Li.sub.2S0.40LiI 1.2E?3 0.34 273 0.21SiS.sub.20.09B.sub.2S.sub.30.30Li.sub.2S0.40LiI 1.7E?3 0.30 273 0.30Li.sub.2S0.7GeS.sub.2 4.4E?7 0.63 274 0.40Li.sub.2S0.60GeS.sub.2 3.2E?6 0.52 274 0.50Li.sub.2S0.50GeS.sub.2 4.0E?5 0.51 274 0.3Li.sub.2S0.7P.sub.2S.sub.5 1.7E?2 0.18 275 0.7Li.sub.2S0.3P.sub.2S.sub.5 3.2E?3 0.12 276 0.6Li.sub.2S0.4P.sub.2S.sub.5 1.5E?4 0.31 277 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.4SiO.sub.4 1.58E?3 0.34 278 0.9(0.6Li.sub.2S0.4SiS.sub.2)0.1Li.sub.4SiO.sub.4 4.34E?4 0.37 278 0.8(0.6Li.sub.2S0.4SiS.sub.2)0.2Li.sub.4SiO.sub.4 1.59E?4 0.43 278 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3PO.sub.4 8.68E?4 0.35 278 0.7(0.6Li.sub.2S0.4SiS.sub.2)0.3Li.sub.3PO.sub.4 2.08E?5 0.46 278 0.6(0.6Li.sub.2S0.4SiS.sub.2)0.4Li.sub.3PO.sub.4 5.33E?6 0.51 278 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.4GeO.sub.4 1.19E?3 0.28 278 0.9(0.6Li.sub.2S0.4SiS.sub.2)0.1Li.sub.4GeO.sub.4 3.18E?4 0.35 278 0.85(0.6Li.sub.2S0.4SiS.sub.2)0.15Li.sub.4GeO.sub.4 1.14E?4 0.40 278 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3BO.sub.3 1.44E?3 0.33 278 0.93(0.6Li.sub.2S0.4SiS.sub.2)0.07Li.sub.3BO.sub.3 3.84E?4 0.35 278 0.85(0.6Li.sub.2S0.4SiS.sub.2)0.15Li.sub.3BO.sub.3 3.42E?4 0.36 278 0.75(0.6Li.sub.2S0.4SiS.sub.2)0.25Li.sub.3BO.sub.3 7.06E?5 0.38 278 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3AlO.sub.3 1.31E?3 0.31 278 0.94(0.6Li.sub.2S0.4SiS.sub.2)0.06Li.sub.3AlO.sub.3 6.83E?4 0.34 278 0.92(0.6Li.sub.2S0.4SiS.sub.2)0.08Li.sub.3AlO.sub.3 4.04E?4 0.34 278 0.825(0.6Li.sub.2S0.4SiS.sub.2)0.175Li.sub.3AlO.sub.3 1.31E?4 0.36 278 0.975(0.6Li.sub.2S0.4SiS.sub.2)0.025Li.sub.3GaO.sub.3 6.82E?4 0.31 278 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3GaO.sub.3 3.25E?4 0.32 278 0.92(0.6Li.sub.2S0.4SiS.sub.2)0.08Li.sub.3GaO.sub.3 3.03E?4 0.35 278 0.89(0.6Li.sub.2S0.4SiS.sub.2)0.11Li.sub.3GaO.sub.3 1.13E?4 0.38 278 0.97(0.6Li.sub.2S0.4SiS.sub.2)0.03Li.sub.3InO.sub.3 3.09E?4 0.34 278 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3InO.sub.3 3.25E?4 0.35 278 0.9(0.6Li.sub.2S0.4SiS.sub.2)0.1Li.sub.3InO.sub.3 6.84E?5 0.40 278 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.4SiO.sub.4 1.54E?3 0.38 279 0.9(0.6Li.sub.2S0.4SiS.sub.2)0.1Li.sub.4SiO.sub.4 4.39E?4 0.40 279 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.2SO.sub.4 4.53E?4 0.41 279 0.9(0.6Li.sub.2S0.4SiS.sub.2)0.1Li.sub.2SO.sub.4 4.70E?5 0.45 279 0.5Li.sub.2O0.1TiO.sub.20.4P.sub.2O.sub.5 5.67E?8 0.56 280 0.5025Li.sub.2O0.0025Al.sub.2O.sub.30.095TiO.sub.20.4P.sub.2O.sub.5 1.56E?8 0.55 280 0.505Li.sub.2O0.005Al.sub.2O.sub.30.09TiO.sub.20.4P.sub.2O.sub.5 1.78E?7 0.50 280 0.5075Li.sub.2O0.0075Al.sub.2O.sub.30.085TiO.sub.20.4P.sub.2O.sub.5 2.51E?7 0.57 280 0.51Li.sub.2O0.01Al.sub.2O.sub.30.08TiO.sub.20.4P.sub.2O.sub.5 1.58E?7 0.55 280 0.515Li.sub.2O0.015Al.sub.2O.sub.30.07TiO.sub.20.4P.sub.2O.sub.5 1.25E?7 0.56 280 0.525Li.sub.2O0.025Al.sub.2O.sub.30.05TiO.sub.20.4P.sub.2O.sub.5 2.17E?7 0.56 280 0.53Li.sub.2O0.03Al.sub.2O.sub.30.04TiO.sub.20.4P.sub.2O.sub.5 2.72E?7 0.54 280 0.54Li.sub.2O0.04Al.sub.2O.sub.30.02TiO.sub.20.4P.sub.2O.sub.5 1.97E?7 0.55 280 0.545Li.sub.2O0.045Al.sub.2O.sub.30.01TiO.sub.20.4P.sub.2O.sub.5 7.14E?8 0.56 280 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.4SiO.sub.4 1.51E?3 0.34 281 0.90(0.6Li.sub.2S0.4SiS.sub.2)0.1Li.sub.4SiO.sub.4 4.34E?4 0.37 281 0.8(0.6Li.sub.2S0.4SiS.sub.2)0.2Li.sub.4SiO.sub.4 1.63E?4 0.43 281 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3PO.sub.4 9.32E?4 0.35 281 0.9(0.6Li.sub.2S0.4SiS.sub.2)0.1Li.sub.3PO.sub.4 4.55E?4 0.37 281 0.7(0.6Li.sub.2S0.4SiS.sub.2)0.3Li.sub.3PO.sub.4 2.08E?5 0.46 281 0.6(0.6Li.sub.2S0.4SiS.sub.2)0.4Li.sub.3PO.sub.4 5.33E?6 0.51 281 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.4GeO.sub.4 1.21E?3 0.28 281 0.9(0.6Li.sub.2S0.4SiS.sub.2)0.1Li.sub.4GeO.sub.4 3.18E?4 0.34 281 0.85(0.6Li.sub.2S0.4SiS.sub.2)0.15Li.sub.4GeO.sub.4 1.14E?4 0.41 281 Li.sub.7PS.sub.6 8.0E?5 282 0.7Li.sub.2S0.3P.sub.2S.sub.5 3.2E?3 0.12 283 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3BO.sub.3 1.40E?3 284 0.93(0.6Li.sub.2S0.4SiS.sub.2)0.07Li.sub.3BO.sub.3 3.71E?4 284 0.85(0.6Li.sub.2S0.4SiS.sub.2)0.15Li.sub.3BO.sub.3 3.39E?4 284 0.75(0.6Li.sub.2S0.4SiS.sub.2)0.25Li.sub.3BO.sub.3 7.15E?5 284 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3AlO.sub.3 1.22E?3 284 0.94(0.6Li.sub.2S0.4SiS.sub.2)0.06Li.sub.3AlO.sub.3 6.67E?4 284 0.92(0.6Li.sub.2S0.4SiS.sub.2)0.08Li.sub.3AlO.sub.3 3.94E?4 284 0.825(0.6Li.sub.2S0.4SiS.sub.2)0.175Li.sub.3AlO.sub.3 1.25E?4 284 0.975(0.6Li.sub.2S0.4SiS.sub.2)0.025Li.sub.3GaO.sub.3 7.05E?4 284 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3GaO.sub.3 3.36E?4 284 0.92(0.6Li.sub.2S0.4SiS.sub.2)0.08Li.sub.3GaO.sub.3 3.06E?4 284 0.89(0.6Li.sub.2S0.4SiS.sub.2)0.11Li.sub.3GaO.sub.3 1.20E?4 284 0.97(0.6Li.sub.2S0.4SiS.sub.2)0.03Li.sub.3InO.sub.3 3.11E?4 284 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3InO.sub.3 2.99E?4 284 0.90(0.6Li.sub.2S0.4SiS.sub.2)0.10Li.sub.3InO.sub.3 6.81E?5 284 (0.67Li.sub.2S0.33SiS.sub.2)(0.75Li.sub.2S0.25P.sub.2S.sub.5) 1.2E?3 0.28 285 0.2Li.sub.3N0.8SiS.sub.2 1.46E?6 0.45 286 0.3Li.sub.3N0.7SiS.sub.2 2.97E?5 0.36 286 0.4Li.sub.3N0.6SiS.sub.2 2.74E?4 0.30 286 0.5Li.sub.3N0.5SiS.sub.2 4.47E?5 0.34 286 0.6Li.sub.3N0.4SiS.sub.2 2.25E?8 0.63 286 0.6Li.sub.2S0.4P.sub.2S.sub.3 5.70E?6 287 0.63Li.sub.2S0.37P.sub.2S.sub.3 2.55E?5 287 0.667Li.sub.2S0.333P.sub.2S.sub.3 1.1E?4 0.40 287 0.7Li.sub.2S0.3P.sub.2S.sub.3 7.90E?5 287 0.75Li.sub.2S0.25P.sub.2S.sub.3 5.08E?5 287 0.6Li.sub.2S0.4SiS.sub.2 5.1E?4 0.33 288 0.555Li.sub.2S0.4SiS.sub.20.045Li.sub.3N 1.5E?3 0.28 288 0.525Li.sub.2S0.4SiS.sub.20.075Li.sub.3N 9.6E?4 0.29 288 0.1Li.sub.2O0.1LiCl0.65B.sub.2O.sub.30.1SiO.sub.20.05Al.sub.2O.sub.3 1.9E?4 0.427 289 0.75Li.sub.2O0.25P.sub.2S.sub.5 1.80E?5 0.48 290 0.75(0.7Li.sub.2O0.3Li.sub.2S)0.25P.sub.2S.sub.5 2.42E?5 0.48 290 0.75(0.5Li.sub.2O0.5Li.sub.2S)0.25P.sub.2S.sub.5 2.83E?5 0.46 290 0.75(0.4Li.sub.2O0.6Li.sub.2S)0.25P.sub.2S.sub.5 4.99E?5 0.44 290 0.75(0.3Li.sub.2O0.7Li.sub.2S)0.25P.sub.2S.sub.5 8.89E?5 0.40 290 0.75(0.2Li.sub.2O0.8Li.sub.2S)0.25P.sub.2S.sub.5 1.63E?4 0.38 290 0.75(0.1Li.sub.2O0.9Li.sub.2S)0.25P.sub.2S.sub.5 2.27E?4 0.36 290 0.75Li.sub.2S0.25P.sub.2S.sub.5 1.80E?4 0.41 290 0.45Li.sub.20.55SiS.sub.2 1.08E?4 0.40 291 0.5Li.sub.20.5SiS.sub.2 3.36E?4 0.32 291 0.55Li.sub.20.45SiS.sub.2 6.53E?4 0.30 291 0.60Li.sub.20.4SiS.sub.2 1.19E?3 0.29 291 0.63Li.sub.20.37SiS.sub.2 1.05E?3 0.30 291 0.65Li.sub.20.35SiS.sub.2 7.41E?4 0.33 291 0.95(0.5Li.sub.20.5SiS.sub.2)0.05(0.5Li.sub.2O0.5P.sub.2O.sub.5) 4.27E?4 0.38 291 0.95(0.53Li.sub.20.47SiS.sub.2)0.05(0.53Li.sub.2O0.47P.sub.2O.sub.5) 5.91E?4 0.33 291 0.95(0.55Li.sub.20.45SiS.sub.2)0.05(0.55Li.sub.2O0.45P.sub.2O.sub.5) 1.01E?3 0.34 291 0.95(0.58Li.sub.20.42SiS.sub.2)0.05(0.58Li.sub.2O0.42P.sub.2O.sub.5) 1.06E?3 0.34 291 0.95(0.6Li.sub.20.4SiS.sub.2)0.05(0.6Li.sub.2O0.4P.sub.2O.sub.5) 1.01E?3 0.27 291 0.95(0.63Li.sub.20.37SiS.sub.2)0.05(0.63Li.sub.2O0.37P.sub.2O.sub.5) 8.71E?4 0.33 291 0.95(0.65Li.sub.20.35SiS.sub.2)0.05(0.65Li.sub.2O0.35P.sub.2O.sub.5) 5.34E?4 0.32 291 0.95(0.67Li.sub.20.33SiS.sub.2)0.05(0.67Li.sub.2O0.33P.sub.2O.sub.5) 1.99E?4 0.37 291 0.8(0.55Li.sub.20.45SiS.sub.2)0.2(0.55Li.sub.2O0.45P.sub.2O.sub.5) 7.88E?5 0.41 291 0.8(0.6Li.sub.20.4SiS.sub.2)0.2(0.6Li.sub.2O0.4P.sub.2O.sub.5) 7.69E?5 0.41 291 0.8(0.65Li.sub.20.35SiS.sub.2)0.2(0.65Li.sub.2O0.35P.sub.2O.sub.5) 5.21E?5 0.42 291 0.65Li.sub.2S0.35P.sub.2S.sub.5 4.14E?5 292 0.675Li.sub.2S0.325P.sub.2S.sub.5 7.84E?5 292 0.7Li.sub.2S0.3P.sub.2S.sub.5 1.58E?3 0.39 292 0.725Li.sub.2S0.275P.sub.2S.sub.5 4.51E?4 292 0.75Li.sub.2S0.25P.sub.2S.sub.5 3.67E?4 292 0.6Li.sub.2S0.4SiS.sub.2 1.69E?4 293 0.1LiI0.9(0.6Li.sub.2S0.4SiS.sub.2) 2.35E?4 293 0.2LiI0.8(0.6Li.sub.2S0.4SiS.sub.2) 3.52E?4 293 0.3LiI0.7(0.6Li.sub.2S0.4SiS.sub.2) 7.42E?4 293 0.5Li.sub.2S0.5SiS.sub.2 1.58E?6 293 0.1LiI0.9(0.5Li.sub.2S0.5SiS.sub.2) 3.99E?5 293 0.2LiI0.8(0.6Li.sub.2S0.4SiS.sub.2) 1.23E?4 293 0.3LiI0.7(0.6Li.sub.2S0.4SiS.sub.2) 3.62E?4 293 Li.sub.6Si.sub.2S.sub.7 4.11E?4 0.37 294 0.95Li.sub.6Si.sub.2S.sub.70.05Li.sub.6B.sub.4O.sub.9 4.11E?4 0.35 294 0.9Li.sub.6Si.sub.2S.sub.70.1Li.sub.6B.sub.4O.sub.9 3.76E?4 0.39 294 0.875Li.sub.6Si.sub.2S.sub.70.125Li.sub.6B.sub.4O.sub.9 2.77E?4 0.39 294 0.75Li.sub.6Si.sub.2S.sub.70.25Li.sub.6B.sub.4O.sub.9 1.42E?4 0.40 294 0.95Li.sub.6Si.sub.2S.sub.70.05Li.sub.6B.sub.4S.sub.9 4.90E?4 0.37 294 0.925Li.sub.6Si.sub.2S.sub.70.075Li.sub.6B.sub.4S.sub.9 3.65E?4 0.38 294 0.9Li.sub.6Si.sub.2S.sub.70.1Li.sub.6B.sub.4S.sub.9 4.73E?4 0.38 294 0.875Li.sub.6Si.sub.2S.sub.70.125Li.sub.6B.sub.4S.sub.9 4.40E?4 0.37 294 0.75Li.sub.6Si.sub.2S.sub.70.25Li.sub.6B.sub.4S.sub.9 5.02E?4 0.36 294 0.63Li.sub.6Si.sub.2S.sub.70.37Li.sub.6B.sub.4S.sub.9 4.39E?4 0.39 294 (Li.sub.2S).sub.60(SiS.sub.2).sub.28(P.sub.2S.sub.5).sub.12 1.23E?3 0.34 295 Li.sub.7La.sub.3Zr.sub.2O.sub.12-5 wt % LiPO.sub.3 2.5E?6 0.51 120 Li.sub.7La.sub.3Zr.sub.2O.sub.12-3 wt % 1.5E?5 0.44 120 65Li.sub.2O27B.sub.2O.sub.38SiO.sub.2 Li.sub.7La.sub.3Zr.sub.2O.sub.12-5 wt % 2.5E?5 0.39 120 40.2Li.sub.2O5.7Y.sub.2O.sub.354.1SiO.sub.2 0.6Li.sub.2S0.4P.sub.2S.sub.5 3.32E?6 0.52 296 0.667Li.sub.2S0.333P.sub.2S.sub.5 3.836E?5 0.44 296 0.7Li.sub.2S0.3P.sub.2S.sub.5 3.77E?5 0.45 296 0.75Li.sub.2S0.25P.sub.2S.sub.5 2.79E?4 0.40 296 0.8Li.sub.2S0.2P.sub.2S.sub.5 1.32E?4 0.44 296 (0.75Li.sub.2S0.25P.sub.2S.sub.5) 2.68E?4 0.26 297 0.95(0.75Li.sub.2S0.25P.sub.2S.sub.5)0.05LiBH.sub.4 3.98E?4 0.25 297 0.89(0.75Li.sub.2S0.25P.sub.2S.sub.5)0.11LiBH.sub.4 6.18E?4 0.26 297 0.67(0.75Li.sub.2S0.25P.sub.2S.sub.5)0.33LiBH.sub.4 1.13E?3 0.21 297 Li.sub.7P.sub.2.9S.sub.10.85Mo.sub.0.01 4.8E?3 0.24 298 Li.sub.7P.sub.3S.sub.11 2.6E?3 0.29 298 Li.sub.7P.sub.2.9Mn.sub.0.1S.sub.10.7I.sub.0.3 5.6E?3 0.22 299 Li.sub.11AlP.sub.2S.sub.12 8.02E?4 0.26 300 Li.sub.3PS.sub.4 1.78E?4 0.33 301 Li.sub.3PS.sub.4 - 2 wt % Al.sub.2O.sub.3 2.27E?4 0.35 301 Li.sub.3PS.sub.4 - 5 wt % Al.sub.2O.sub.3 1.96E?4 0.35 301 Li.sub.3PS.sub.4 - 8 wt % Al.sub.2O.sub.3 1.60E?4 0.36 301 Li.sub.3PS.sub.4 - 10 wt % Al.sub.2O.sub.3 1.50E?4 0.36 301 Li.sub.3PS.sub.4 - 30 wt % Al.sub.2O.sub.3 9.96E?5 0.36 301 Li.sub.3PS.sub.4 - 50 wt % Al.sub.2O.sub.3 9.38E?7 0.44 301 Li.sub.3PS.sub.4 - 70 wt % Al.sub.2O.sub.3 3.92E?8 0.60 301 Li.sub.3PS.sub.4 - 90 wt % Al.sub.2O.sub.3 1.54E?9 0.79 301 Li.sub.3PS.sub.4 - 2 wt % SiO.sub.2 2.28E?4 0.32 301 Li.sub.3PS.sub.4 - 5 wt % SiO.sub.2 1.96E?4 0.33 301 Li.sub.3PS.sub.4 - 8 wt % SiO.sub.2 1.60E?4 0.33 301 Li.sub.3PS.sub.4 - 10 wt % SiO.sub.2 1.50E?4 0.33 301 Li.sub.3PS.sub.4 - 30 wt % SiO.sub.2 1.00E?4 0.35 301 Li.sub.3PS.sub.4 - 50 wt % SiO.sub.2 3.80E?5 0.36 301 Li.sub.3PS.sub.4 - 70 wt % SiO.sub.2 5.92E?6 0.38 301 Li.sub.3PS.sub.4 - 90 wt % SiO.sub.2 8.53E?9 0.41 301 Li.sub.3PS.sub.4 - 5 wt % Li.sub.6ZnNb.sub.4O.sub.14 2.28E?4 0.29 301 Li.sub.3PS.sub.4 - 10 wt % Li.sub.6ZnNb.sub.4O.sub.14 2.43E?4 0.31 301 Li.sub.3PS.sub.4 - 15 wt % Li.sub.6ZnNb.sub.4O.sub.14 2.41E?4 0.32 301 Li.sub.3PS.sub.4 - 20 wt % Li.sub.6ZnNb.sub.4O.sub.14 2.22E?4 0.33 301 Li.sub.3PS.sub.4 - 30 wt % Li.sub.6ZnNb.sub.4O.sub.14 1.87E?4 0.34 301 Li.sub.3PS.sub.4 - 50 wt % Li.sub.6ZnNb.sub.4O.sub.14 1.42E?4 0.36 301 Li.sub.3PS.sub.4 - 70 wt % Li.sub.6ZnNb.sub.4O.sub.14 7.23E?5 0.38 301 Li.sub.3PS.sub.4 - 90 wt % Li.sub.6ZnNb.sub.4O.sub.14 2.99E?7 0.40 301 Li.sub.3PS.sub.4 1.46E?4 0.38 302 Li.sub.3PS.sub.4 - 10 wt % Li.sub.7La.sub.3Zr.sub.2O.sub.12 2.96E?4 0.36 302 Li.sub.3PS.sub.4 - 20 wt % Li.sub.7La.sub.3Zr.sub.2O.sub.12 3.70E?4 0.35 302 Li.sub.3PS.sub.4 - 25 wt % Li.sub.7La.sub.3Zr.sub.2O.sub.12 4.10E?4 0.35 302 Li.sub.3PS.sub.4 - 30 wt % Li.sub.7La.sub.3Zr.sub.2O.sub.12 5.38E?4 0.36 302 Li.sub.3PS.sub.4 - 35 wt % Li.sub.7La.sub.3Zr.sub.2O.sub.12 4.00E?4 0.36 302 Li.sub.3PS.sub.4 - 40 wt % Li.sub.7La.sub.3Zr.sub.2O.sub.12 3.33E?4 0.36 302 Li.sub.3PS.sub.4 - 60 wt % Li.sub.7La.sub.3Zr.sub.2O.sub.12 2.19E?4 0.40 302 Li.sub.3PS.sub.4 - 70 wt % Li.sub.7La.sub.3Zr.sub.2O.sub.12 1.26E?5 0.43 302 Li.sub.3PS.sub.4 - 90 wt % Li.sub.7La.sub.3Zr.sub.2O.sub.12 6.04E?6 0.44 302 Li.sub.7La.sub.3Zr.sub.2O.sub.12 5.20E?8 0.47 302 Li.sub.3.45Ge.sub.0.45P.sub.0.55S.sub.3.1Se.sub.0.9 9.8E?4 303 Li.sub.3.4Ge.sub.0.4P.sub.0.6S.sub.3.2Se.sub.0.8 1.17E?3 303 Li.sub.3.35Ge.sub.0.35P.sub.0.65S.sub.3.3Se.sub.0.7 1.20E?3 303 Li.sub.3.3Ge.sub.0.3P.sub.0.7S.sub.3.4Se.sub.0.6 1.33E?3 303 Li.sub.3.25Ge.sub.0.25P.sub.0.75S.sub.3.5Se.sub.0.5 5.03E?4 303 Li.sub.3.20Ge.sub.0.20P.sub.0.8S.sub.3.6Se.sub.0.4 1.08E?3 303 Li.sub.3.15Ge.sub.0.15P.sub.0.85S.sub.3.7Se.sub.0.3 8.16E?4 303 Li.sub.3.1Ge.sub.0.1P.sub.0.9S.sub.3.8Se.sub.0.2 1.13E?3 303 Li.sub.3.05Ge.sub.0.05P.sub.0.95S.sub.3.9Se.sub.0.1 1.41E?3 303 Li.sub.3PS.sub.4 9.35E?4 303 0.8Li.sub.200.2P.sub.2S.sub.5 1.54E?5 304 0.05Li.sub.2S0.75Li.sub.2O0.2P.sub.2S.sub.5 1.39E?5 304 0.1Li.sub.2S0.7Li.sub.2O0.2P.sub.2S.sub.5 1.59E?5 304 0.15Li.sub.2S0.65Li.sub.2O0.2P.sub.2S.sub.5 2.32E?5 304 0.2Li.sub.2S0.6Li.sub.2O0.2P.sub.2S.sub.5 2.89E?5 304 0.25Li.sub.2S0.55Li.sub.2O0.2P.sub.2S.sub.5 3.80E?5 304 0.3Li.sub.2S0.5Li.sub.2O0.2P.sub.2S.sub.5 4.35E?5 304 0.35Li.sub.2S0.45Li.sub.2O0.2P.sub.2S.sub.5 5.26E?5 304 0.4Li.sub.2S0.4Li.sub.2O0.2P.sub.2S.sub.5 4.45E?5 304 0.45Li.sub.2S0.35Li.sub.2O0.2P.sub.2S.sub.5 6.35E?5 304 0.5Li.sub.2S0.3Li.sub.2O0.2P.sub.2S.sub.5 8.11E?5 304 0.55Li.sub.2S0.25Li.sub.2O0.2P.sub.2S.sub.5 1.12E?4 304 0.6Li.sub.2S0.2Li.sub.2O0.2P.sub.2S.sub.5 1.12E?4 304 0.65Li.sub.2S0.15Li.sub.2O0.2P.sub.2S.sub.5 1.13E?4 304 0.7Li.sub.2S0.1Li.sub.2O0.2P.sub.2S.sub.5 1.09E?4 304 0.75Li.sub.2S0.05Li.sub.2O0.2P.sub.2S.sub.5 1.43E?4 304 0.8Li.sub.2S0.2P.sub.2S.sub.5 2.99E?4 304 0.75Li.sub.2O0.25P.sub.2S.sub.5 1.55E?5 304 0.05Li.sub.2S0.7Li.sub.2O0.25P.sub.2S.sub.5 1.42E?5 304 0.1Li.sub.2S0.65Li.sub.2O0.25P.sub.2S.sub.5 2.52E?5 304 0.15Li.sub.2S0.6Li.sub.2O0.25P.sub.2S.sub.5 2.67E?5 304 0.2Li.sub.2S0.55Li.sub.2O0.25P.sub.2S.sub.5 2.74E?5 304 0.25Li.sub.2S0.5Li.sub.2O0.25P.sub.2S.sub.5 3.80E?5 304 0.3Li.sub.2S0.45Li.sub.2O0.25P.sub.2S.sub.5 5.88E?5 304 0.35Li.sub.2S0.4Li.sub.2O0.25P.sub.2S.sub.5 1.33E?5 304 0.4Li.sub.2S0.35Li.sub.2O0.25P.sub.2S.sub.5 2.44E?5 304 0.45Li.sub.2S0.3Li.sub.2O0.25P.sub.2S.sub.5 2.30E?5 304 0.5Li.sub.2S0.25Li.sub.2O0.25P.sub.2S.sub.5 9.56E?6 304 0.55Li.sub.2S0.2Li.sub.2O0.25P.sub.2S.sub.5 7.06E?5 304 0.6Li.sub.2S0.15Li.sub.2O0.25P.sub.2S.sub.5 9.27E?5 304 0.65Li.sub.2S0.1Li.sub.2O0.25P.sub.2S.sub.5 1.15E?4 304 0.7Li.sub.2S0.05Li.sub.2O0.25P.sub.2S.sub.5 9.76E?5 304 0.75Li.sub.2S0.25P.sub.2S.sub.5 1.60E?4 304 0.7Li.sub.200.3P.sub.2S.sub.5 5.78E?11 304 0.05Li.sub.2S0.65Li.sub.2O0.3P.sub.2S.sub.5 1.51E?8 304 0.1Li.sub.2S0.6Li.sub.2O0.3P.sub.2S.sub.5 7.78E?8 304 0.15Li.sub.2S0.55Li.sub.2O0.3P.sub.2S.sub.5 2.90E?7 304 0.2Li.sub.2S0.5Li.sub.2O0.3P.sub.2S.sub.5 1.67E?5 304 0.25Li.sub.2S0.45Li.sub.2O0.3P.sub.2S.sub.5 8.64E?7 304 0.3Li.sub.2S0.4Li.sub.2O0.3P.sub.2S.sub.5 1.62E?6 304 0.35Li.sub.2S0.35Li.sub.2O0.3P.sub.2S.sub.5 3.68E?6 304 0.4Li.sub.2S0.3Li.sub.2O0.3P.sub.2S.sub.5 5.86E?6 304 0.45Li.sub.2S0.25Li.sub.2O0.3P.sub.2S.sub.5 5.10E?6 304 0.5Li.sub.2S0.2Li.sub.2O0.3P.sub.2S.sub.5 8.33E?6 304 0.55Li.sub.2S0.15Li.sub.2O0.3P.sub.2S.sub.5 1.01E?5 304 0.6Li.sub.2S0.1Li.sub.2O0.3P.sub.2S.sub.5 2.29E?5 304 0.65Li.sub.2S0.05Li.sub.2O0.3P.sub.2S.sub.5 2.48E?5 304 0.7Li.sub.2S0.3P.sub.2S.sub.5 5.34E?5 304 0.9Li.sub.3PS.sub.410ZnO 2.9E?4 305 0.7Li.sub.2S0.3P.sub.2S.sub.5 7.10E?4 0.23 306 0.7Li.sub.2S0.29P.sub.2S.sub.50.01Li.sub.3PO.sub.4 1.83E?3 0.19 306 0.7Li.sub.2S0.28P.sub.2S.sub.50.02Li.sub.3PO.sub.4 9.89E?4 0.21 306 0.7Li.sub.2S0.27P.sub.2S.sub.50.03Li.sub.3PO.sub.4 4.40E?4 0.25 306 0.7Li.sub.2S0.25P.sub.2S.sub.50.05Li.sub.3PO.sub.4 2.67E?4 0.29 306 0.7Li.sub.2S0.3P.sub.2S.sub.5 1.67E?3 0.23 307 0.99(0.7Li.sub.2S0.3P.sub.2S.sub.5)0.01Li.sub.2ZrO.sub.3 2.86E?3 0.18 307 0.98(0.7Li.sub.2S0.3P.sub.2S.sub.5)0.02Li.sub.2ZrO.sub.3 1.22E?3 0.25 307 0.95(0.7Li.sub.2S0.3P.sub.2S.sub.5)0.05Li.sub.2ZrO.sub.3 7.42E?4 0.29 307 Li.sub.2.7PO.sub.3.9 7E?8 0.68 308 Li.sub.3.6(Si.sub.0.19P.sub.0.82)O.sub.4.2 2.0E?7 0.57 308 Li.sub.3.1PO.sub.3.8N.sub.0.16 2.00E?6 0.57 308 Li.sub.3.3PO.sub.3.8N.sub.0.22 2.40E?6 0.56 308 Li.sub.2.9PO.sub.3.3N.sub.0.46 3.30E?6 0.54 308 Li.sub.4.4PO.sub.4.3 9.39E?7 0.64 309 Li.sub.4.0PO.sub.3.9N.sub.0.4 1.70E?6 0.62 309 Li.sub.3.7PO.sub.3.4N.sub.0.7 2.36E?6 0.60 309 Li.sub.3.5PO.sub.3.2N.sub.0.8 2.59E?6 0.59 309 Li.sub.3.4PO.sub.3.1N.sub.0.9 2.81E?6 0.58 309 Li.sub.3.2PO.sub.3.0N 2.99E?6 0.57 309 Li.sub.2.9PO.sub.2.6N.sub.0.91 2.1E?6 0.52 310 Li.sub.1.8PO.sub.1.2N.sub.1.5 1.7E?6 0.49 310 Li.sub.3.3PO.sub.2.9N.sub.0.83 3.1E?6 0.47 310 0.45B.sub.2S.sub.30.55Li.sub.2S 8.19E?5 0.23 311 0.815(0.45B.sub.2S.sub.30.55Li.sub.2S)0.185LiI 3.08E?4 0.20 311 0.69(0.45B.sub.2S.sub.30.55Li.sub.2S)0.31LiI 7.58E?4 0.23 311 0.33B.sub.2S.sub.30.67Li.sub.2S 2.26E?4 0.31 311 0.95(0.33B.sub.2S.sub.30.67Li.sub.2S)0.05LiI 4.37E?4 0.29 311 0.9(0.33B.sub.2S.sub.30.67Li.sub.2S)0.1LiI 4.81E?4 0.28 311 0.85(0.33B.sub.2S.sub.30.67Li.sub.2S)0.15LiI 4.92E?4 0.28 311 0.75(0.33B.sub.2S.sub.30.67Li.sub.2S)0.25LiI 6.10E?4 0.27 311 0.66(0.33B.sub.2S.sub.30.67Li.sub.2S)0.34LiI 5.22E?4 0.32 311 0.6(0.33B.sub.2S.sub.30.67Li.sub.2S)0.4LiI 4.89E?4 0.35 311 0.29B.sub.2S.sub.30.71Li.sub.2S 2.71E?4 0.32 311 0.95(0.29B.sub.2S.sub.30.71Li.sub.2S)0.05LiI 3.72E?4 0.31 311 0.875(0.29B.sub.2S.sub.30.71Li.sub.2S)0.125LiI 6.27E?4 0.29 311 0.78(0.29B.sub.2S.sub.30.71Li.sub.2S)0.22LiI 6.56E?4 0.29 311 0.64(0.29B.sub.2S.sub.30.71Li.sub.2S)0.36LiI 8.10E?4 0.36 311 3.03E?4 0.36 311 0.92(0.25B.sub.2S.sub.30.75Li.sub.2S)0.08LiI 3.83E?4 0.30 311 0.89(0.25B.sub.2S.sub.30.75Li.sub.2S)0.11LiI 3.48E?4 0.33 311 0.5Li.sub.2S0.5SiS.sub.2 4.80E?5 312 0.985(0.5Li.sub.2S0.5SiS.sub.2)0.015Li.sub.3PO.sub.4 6.28E?5 312 0.975(0.5Li.sub.2S0.5SiS.sub.2)0.025Li.sub.3PO.sub.4 8.76E?5 312 0.95(0.5Li.sub.2S0.5SiS.sub.2)0.05Li.sub.3PO.sub.4 8.68E?5 312 0.9(0.5Li.sub.2S0.5SiS.sub.2)0.1Li.sub.3PO.sub.4 6.76E?5 312 1.85E?4 312 0.99(0.6Li.sub.2S0.4SiS.sub.2)0.01Li.sub.3PO.sub.4 2.53E?4 312 0.97(0.6Li.sub.2S0.4SiS.sub.2)0.03Li.sub.3PO.sub.4 3.97E?4 312 0.95(0.6Li.sub.2S0.4SiS.sub.2)0.05Li.sub.3PO.sub.4 2.03E?4 312 0.9(0.6Li.sub.2S0.4SiS.sub.2)0.1Li.sub.3PO.sub.4 5.20E?5 312 0.61Li.sub.2S0.39SiS.sub.2 5.24E?4 312 0.99(0.61Li.sub.2S0.39SiS.sub.2)0.01Li.sub.3PO.sub.4 5.05E?4 312 0.985(0.61Li.sub.2S0.39SiS.sub.2)0.015Li.sub.3PO.sub.4 5.96E?4 312 0.98(0.61Li.sub.2S0.39SiS.sub.2)0.02Li.sub.3PO.sub.4 7.69E?4 312 0.975(0.61Li.sub.2S0.39SiS.sub.2)0.025Li.sub.3PO.sub.4 6.36E?4 312 0.97(0.61Li.sub.2S0.39SiS.sub.2)0.03Li.sub.3PO.sub.4 5.83E?4 312 0.95(0.61Li.sub.2S0.39SiS.sub.2)0.05Li.sub.3PO.sub.4 4.68E?4 312 0.9(0.61Li.sub.2S0.39SiS.sub.2)0.1Li.sub.3PO.sub.4 1.28E?4 312 0.99(0.65Li.sub.2S0.35SiS.sub.2)0.01Li.sub.3PO.sub.4 3.60E?4 312 0.97(0.65Li.sub.2S0.35SiS.sub.2)0.03Li.sub.3PO.sub.4 2.62E?4 312 0.95(0.65Li.sub.2S0.35SiS.sub.2)0.05Li.sub.3PO.sub.4 1.81E?4 312 0.9(0.65Li.sub.2S0.35SiS.sub.2)0.1Li.sub.3PO.sub.4 7.13E?5 312 0.7Li.sub.2S0.3P.sub.2S.sub.5 5.2E?3 313 LiI 3.07E?7 314 0.998LiI0.002CaI.sub.2 9.80E?7 314 0.99LiI0.01CaI.sub.2 5.54E?6 0.43 314 LiI 2.74E?8 0.43 315 0.8LiI0.2Al.sub.2O.sub.3 6.84E?6 0.35 315 0.7LiI0.3Al.sub.2O.sub.3 2.07E?5 0.33 315 0.6LiI0.4Al.sub.2O.sub.3 3.94E?5 0.33 315 0.5LiI0.5Al.sub.2O.sub.3 2.58E?5 0.33 315 0.4LiI0.6Al.sub.2O.sub.3 6.76E?6 0.37 315 Li.sub.3.5P.sub.0.5Si.sub.0.5O.sub.4 4.27E?7 0.57 19 Li.sub.3.5P.sub.0.5Ge.sub.0.5O.sub.4 7.89E?6 0.56 19 Li.sub.3.5As.sub.0.5Si.sub.0.5O.sub.4 4.05E?6 0.55 19 Li.sub.3.5V.sub.0.5Si.sub.0.5O.sub.4 1.20E?5 0.53 19 Li.sub.3.5As.sub.0.5Ge.sub.0.5O.sub.4 2.83E?5 0.51 19 Li.sub.3.5V.sub.0.5Ge.sub.0.5O.sub.4 3.00E?5 19 Li.sub.3.5As.sub.0.5Ti.sub.0.5O.sub.4 3.22E?5 0.52 19 Li.sub.3.5As.sub.0.5V.sub.0.5O.sub.4 4.01E?5 0.49 19 LiHf.sub.2(PO.sub.4).sub.30.1Li.sub.2O 1.12E?4 19 LiHf.sub.2(PO.sub.4).sub.30.2Li.sub.2O 2.78E?5 19 LiHf.sub.2(PO.sub.4).sub.30.3Li.sub.2O 2.58E?5 19 LiHf.sub.2(PO.sub.4).sub.30.4Li.sub.2O 3.40E?5 19 LiTi.sub.2(PO.sub.4).sub.3 1.69E?6 0.30 316 0.95LiTi.sub.2(PO.sub.4).sub.30.05Li.sub.3PO.sub.4 5.52E?5 0.29 316 0.9LiTi.sub.2(PO.sub.4).sub.30.1Li.sub.3PO.sub.4 1.38E?4 0.28 316 0.8LiTi.sub.2(PO.sub.4).sub.30.2Li.sub.3PO.sub.4 1.93E?4 0.31 316 0.7LiTi.sub.2(PO.sub.4).sub.30.3Li.sub.3PO.sub.4 2.45E?4 0.30 316 0.95LiTi.sub.2(PO.sub.4).sub.30.05Li.sub.3BO.sub.3 3.59E?5 0.30 316 0.9LiTi.sub.2(PO.sub.4).sub.30.1Li.sub.3BO.sub.3 2.54E?4 0.30 316 0.8LiTi.sub.2(PO.sub.4).sub.30.2Li.sub.3BO.sub.3 2.97E?4 0.30 316 0.7LiTi.sub.2(PO.sub.4).sub.30.3Li.sub.3BO.sub.3 2.45E?4 0.29 316 0.5LiTi.sub.2(PO.sub.4).sub.30.5Li.sub.3BO.sub.3 2.73E?5 0.31 316 LiTi.sub.2(PO.sub.4).sub.3 1.00E?4 317 LiTi.sub.2(PO.sub.4).sub.30.15LiPO.sub.4 6.00E?4 317 LiTi.sub.2(PO.sub.4).sub.30.3LiPO.sub.4 9.92E?4 317 LiTi.sub.2(PO.sub.4).sub.30.6LiPO.sub.4 1.23E?3 317 LiTi.sub.2(PO.sub.4).sub.30.9LiPO.sub.4 1.10E?3 317 LiTi.sub.2(PO.sub.4).sub.30.15LiBO.sub.3 4.80E?4 317 LiTi.sub.2(PO.sub.4).sub.30.3LiBO.sub.3 1.66E?3 317 LiTi.sub.2(PO.sub.4).sub.30.6LiBO.sub.3 1.12E?3 317 LiTi.sub.2(PO.sub.4).sub.30.9LiBO.sub.3 8.91E?4 317 LiTi.sub.2(PO.sub.4).sub.31.5LiBO.sub.3 6.48E?4 317 LiTi.sub.2(PO.sub.4).sub.30.2Li.sub.2SO.sub.4 8.35E?4 317 LiTi.sub.2(PO.sub.4).sub.30.4Li.sub.2SO.sub.4 1.66E?3 317 LiTi.sub.2(PO.sub.4).sub.30.6Li.sub.2SO.sub.4 5.67E?4 317 LiTi.sub.2(PO.sub.4).sub.30.4LiCl 6.45E?4 317 LiTi.sub.2(PO.sub.4).sub.30.8LiCl 1.28E?3 317 LiTi.sub.2(PO.sub.4).sub.31.2LiCl 1.02E?3 317 LiTi.sub.2(PO.sub.4).sub.30.4LiNO.sub.3 1.18E?3 317 LiTi.sub.2(PO.sub.4).sub.30.8LiNO.sub.3 1.49E?3 317 LiTi.sub.2(PO.sub.4).sub.31.2LiNO.sub.3 9.95E?4 317 Li.sub.0.39La.sub.0.54TiO.sub.3 1.08E?3 0.316 318 (Li.sub.0.39La.sub.0.54).sub.1.006Al.sub.0.006Ti.sub.0.994O.sub.3 1.13E?3 0.308 318 (Li.sub.0.39La.sub.0.54).sub.1.01Al.sub.0.02Ti.sub.0.98O.sub.3 1.58E?3 0.278 318 (Li.sub.0.39La.sub.0.54).sub.1.03Al.sub.0.06Ti.sub.0.94O.sub.3 1.39E?3 0.290 318 (Li.sub.0.39La.sub.0.54).sub.1.005Cr.sub.0.01Ti.sub.0.99O.sub.3 9.52E?4 0.300 318 1.01E?3 0.315 318 (Li.sub.0.39La.sub.0.54).sub.1.025Cr.sub.0.05Ti.sub.0.95O.sub.3 1.04E?3 0.298 318 La.sub.0.51Li.sub.0.34TiO.sub.2.94 1E?3 0.38 319 La.sub.0.57Li.sub.0.26TiO.sub.2.99 1E?3 0.34 319 La.sub.0.6Li.sub.0.16TiO.sub.3.01 6.3E?4 0.33 319 La.sub.0.64Li.sub.0.067TiO.sub.3 7.9E?5 0.36 319 (La.sub.0.5Li.sub.0.5).sub.0.95Sr.sub.0.05TiO.sub.3 1.49E?3 319 (La.sub.0.5Li.sub.0.5).sub.0.9Sr.sub.0.1TiO.sub.3 1.30E?3 319 (La.sub.0.5Li.sub.0.5).sub.0.75Sr.sub.0.25TiO.sub.3 8.99E?5 319 (La.sub.0.5Li.sub.0.5).sub.0.95Ba.sub.0.05TiO.sub.3 7.61E?4 319 La.sub.0.63Li.sub.0.1Mg.sub.0.5W.sub.0.5O.sub.3 1.69E?6 0.39 319 Li.sub.0.5La.sub.0.5TiO.sub.3 8.67E?4 0.28 320 Li.sub.0.5La.sub.0.5Ti.sub.0.98Sn.sub.0.02O.sub.3 4.86E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.96Sn.sub.0.04O.sub.3 3.89E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.94Sn.sub.0.06O.sub.3 3.52E?4 0.294 320 Li.sub.0.5La.sub.0.5Ti.sub.0.9Sn.sub.0.1O.sub.3 2.60E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.98Zr.sub.0.02O.sub.3 4.16E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.96Zr.sub.0.04O.sub.3 2.86E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.94Zr.sub.0.06O.sub.3 2.23E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.9Zr.sub.0.1O.sub.3 7.05E?5 320 Li.sub.0.5La.sub.0.5Ti.sub.0.998Mn.sub.0.002O.sub.3 9.12E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.996Mn.sub.0.004O.sub.3 9.64E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.994Mn.sub.0.006O.sub.3 1.08E?3 320 Li.sub.0.5La.sub.0.5Ti.sub.0.992Mn.sub.0.008O.sub.3 1.13E?3 320 Li.sub.0.5La.sub.0.5Ti.sub.0.99Mn.sub.0.01O.sub.3 1.13E?3 320 Li.sub.0.5La.sub.0.5Ti.sub.0.998Ge.sub.0.002O.sub.3 9.12E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.996Ge.sub.0.004O.sub.3 9.64E?4 320 Li.sub.0.5La.sub.0.5Ti.sub.0.994Ge.sub.0.006O.sub.3 1.08E?3 320 Li.sub.0.5La.sub.0.5Ti.sub.0.992Ge.sub.0.008O.sub.3 1.13E?3 0.265 320 Li.sub.0.5La.sub.0.5Ti.sub.0.99Ge.sub.0.01O.sub.3 1.13E?3 320 La.sub.0.58Li.sub.0.36Ti.sub.0.95Mg.sub.0.05O.sub.3 2.1E?4 0.29 321 La.sub.0.56Li.sub.0.36Ti.sub.0.95Al.sub.0.05O.sub.3 6.4E?4 0.26 321 La.sub.0.55Li.sub.0.36Ti.sub.0.95Mn.sub.0.05O.sub.3 1.9E?4 0.29 321 La.sub.0.55Li.sub.0.36Ti.sub.0.95Ge.sub.0.05O.sub.3 3.6E?4 0.29 321 La.sub.0.55Li.sub.0.36Ti.sub.0.95Ru.sub.0.05O.sub.3 5.2E?5 0.28 321 La.sub.0.51Li.sub.0.36Ti.sub.0.95W.sub.0.05O.sub.3 7.3E?4 0.27 321 La.sub.0.55Li.sub.0.36Ti.sub.0.9W.sub.0.1O.sub.3 4.4E?4 0.27 321 La.sub.0.55Li.sub.0.36Ti.sub.0.995Al.sub.0.005O.sub.3 1.1E?3 0.28 321 La.sub.0.55Li.sub.0.36Ti.sub.0.992Al.sub.0.008O.sub.3 6.5E?4 0.29 321 La.sub.0.54Li.sub.0.36Ti.sub.0.995W.sub.0.005O.sub.3 2.6E?4 0.30 321 La.sub.0.54Li.sub.0.36TiO.sub.3 8.9E?4 0.29 321 La.sub.0.606Li.sub.0.06Ti.sub.0.94Al.sub.0.06O.sub.3 1.68E?6 0.36 322 La.sub.0.566Li.sub.0.1Ti.sub.0.9Al.sub.0.1O.sub.3 7.34E?6 0.35 322 La.sub.0.516Li.sub.0.15Ti.sub.0.85Al.sub.0.15O.sub.3 9.66E?6 0.36 322 La.sub.0.466Li.sub.0.2Ti.sub.0.8Al.sub.0.2O.sub.3 4.28E?5 0.33 322 La.sub.0.416Li.sub.0.25Ti.sub.0.75Al.sub.0.25O.sub.3 7.66E?5 0.35 322 La.sub.0.366Li.sub.0.3Ti.sub.0.7Al.sub.0.3O.sub.3 1.72E?5 0.33 322 Li.sub.0.12La.sub.0.63TiO.sub.3 2.00E?4 323 Li.sub.0.18La.sub.0.61TiO.sub.3 4.43E?4 323 Li.sub.0.24La.sub.0.59TiO.sub.3 9.93E?4 323 Li.sub.0.3La.sub.0.57TiO.sub.3 1.10E?3 323 Li.sub.0.39La.sub.0.54TiO.sub.3 1.02E?3 323 Li.sub.0.45La.sub.0.52TiO.sub.3 9.05E?4 323 LiZr.sub.2(PO.sub.4).sub.3 4.77E?7 324 Li.sub.1.05Al.sub.0.05Zr.sub.1.9(PO.sub.4).sub.3 5.79E?7 324 Li.sub.1.1Al.sub.0.1Zr.sub.1.8(PO.sub.4).sub.3 6.35E?7 324 Li.sub.1.2Al.sub.0.2Zr.sub.1.6(PO.sub.4).sub.3 1.90E?6 0.48 324 Li.sub.1.225Al.sub.0.225Zr.sub.1.55(PO.sub.4).sub.3 2.13E?6 0.48 324 Li.sub.1.25Al.sub.0.25Zr.sub.1.5(PO.sub.4).sub.3 2.06E?6 0.48 324 Li.sub.1.275Al.sub.0.275Zr.sub.1.45(PO.sub.4).sub.3 3.05E?6 0.48 324 Li.sub.1.3Al.sub.0.3Zr.sub.1.4(PO.sub.4).sub.3 1.91E?6 0.48 324 LiHf.sub.2(PO.sub.4).sub.3 3.42E?6 325 LiHfTi(PO.sub.4).sub.3 5.63E?7 325 Li.sub.0.1Zr.sub.1.1Nb.sub.0.9P.sub.3O.sub.12 6E?6 325 LiTi.sub.2(PO.sub.4).sub.3 1.04E?7 326 Li.sub.1.1Sc.sub.0.1Ti.sub.1.9(PO.sub.4).sub.3 1.75E?5 326 Li.sub.1.2Sc.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 4.11E?5 0.34 326 Li.sub.1.3Sc.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 4.06E?5 326 Li.sub.1.4Sc.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 9.43E?6 326 Li.sub.1.5Sc.sub.0.5Ti.sub.1.5(PO.sub.4).sub.3 5.42E?7 326 Li.sub.1.1Y.sub.0.1Ti.sub.1.9(PO.sub.4).sub.3 2.94E?7 326 Li.sub.1.2Y.sub.0.2Ti.sub.1.8(PO.sub.4).sub.3 7.95E?7 326 Li.sub.1.3Y.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 1.01E?6 0.40 326 Li.sub.1.4Y.sub.0.4Ti.sub.1.6(PO.sub.4).sub.3 2.97E?7 326 LiTi.sub.2(PO.sub.4).sub.30.5LiF 2.318E?4 0.28 327 LiTi.sub.2(PO.sub.4).sub.3 7.181E?6 0.48 327 14Li.sub.2O9Al.sub.2O.sub.338TiO.sub.239P.sub.2O.sub.5 1.3E?3 0.33 328 Li.sub.6.6La.sub.3Zr.sub.1.6Ta.sub.0.4O.sub.12 3.13E?4 0.38 329 Li.sub.6.6La.sub.2.875Y.sub.0.125Zr.sub.1.6Ta.sub.0.4O.sub.12 3.17E?4 0.35 329 Li.sub.6.6La.sub.2.75Y.sub.0.25Zr.sub.1.6Ta.sub.0.4O.sub.12 4.36E?4 0.34 329 Li.sub.6.6La.sub.2.5Y.sub.0.5Zr.sub.1.6Ta.sub.0.4O.sub.12 2.26E?4 0.39 329 Li.sub.2ZrS.sub.3 7.3E?6 330 Li.sub.2.2Zn.sub.0.1Zr.sub.0.9S.sub.3 1.2E?4 330 0.7Li.sub.2S0.3P.sub.2S.sub.5 8.1E?5 0.425 12 Li.sub.7PS.sub.6 1.61E?6 0.16 176

Section II. Labels for Comparing all Descriptors-Simplification Combinations

[0433] A subset of the digitized labels was used for comparing between the different semi-supervised learning models. In total, the label subset is comprised of 155 structures. The subset is required because not all structures are compatible with all the descriptor transformations. Some descriptor-structure combinations produce coding errors, imaginary values, or infinite values. To directly compare all the descriptors, its necessary to have a common set of labels. The 155 labels that worked for all descriptors is listed in the subsequent table:

TABLE-US-00004 ?.sub.25? C. E.sub.a Space Space Other Compound (S cm.sup.?1) (eV) Group Group # names ICSD Citation Li.sub.4P.sub.2O.sub.7 .sup.<1E?10 1.617 P1 2 248414 8 Li.sub.7P.sub.3S.sub.11 3.2E?3 0.124 P1 2 157654 5 Li.sub.7BiO.sub.6 8.80E?07 0.58 P1 2 155950 3 Li.sub.7SbO.sub.6 6.70E?08 0.7 P1 2 413370 3 Li.sub.6CuB.sub.4O.sub.10 1.00E?13 0.92 P1 2 ?-Li.sub.6CuB.sub.4O.sub.10 4819 10 LiAlSi.sub.3O.sub.8 1.30E?10 C1 2 81980 1 Li.sub.3BP.sub.2O.sub.8 9.60E?12 0.62 P1 2 248343 7 LiSn.sub.2(PO.sub.4).sub.3 2.04E?9 P1 2 83832 2 LiV(PO.sub.4)F 8.1E?7 0.23 P1 2 183876 6 Li.sub.2NaBP.sub.2O.sub.8 4.40E?18 1.21 P1 2 291512 7 LiMgSO.sub.4F 5.40E?08 0.54 P1 2 281119 9 Li.sub.2ZnGeO.sub.4 1.00E?07 0.4 Pc 7 34362 13 Li.sub.4SiO.sub.4 5.00E?10 0.55 P2.sub.1/m 11 238603 17 Li.sub.3.7P.sub.0.3Si.sub.0.7O.sub.4 3.84E?7 P2.sub.1/m 11 35168 19 Li.sub.7.22Si.sub.1.5P.sub.0.5O.sub.8 1.64E?7 0.48 P2.sub.1/m 11 238602 16 Li.sub.3InCl.sub.6 2.04E?3 0.35 C2/m 12 89617 20 Li.sub.2P.sub.2S.sub.6 7.80E?11 0.48 C2/m 12 253894 21 LiPO.sub.3 1.00E?09 P2/c 13 51630 28 LiAlSi.sub.4O.sub.10 1.01E?10 P2/c 13 194284 1 LaLiO.sub.2 .sup.<1E?10 0.92 P2.sub.1/C 14 239278 36 LiBO.sub.2 1.00E?08 0.71 P2.sub.1/C 14 200891 34 LiSbO.sub.2 .sup.<1E?10 0.88 P2.sub.1/C 14 262075 39 LiYO.sub.2 1.80E?08 0.72 P2.sub.1/C 14 45511 33 LiAlCl.sub.4 1.00E?06 0.47 P2.sub.1/C 14 35275 32 Li.sub.3BO.sub.3 7.40E?11 0.63 P2.sub.1/C 14 9105 30 Li.sub.2SO.sub.4 1.40E?14 1.1 P2.sub.1/C 14 2512 29 Li.sub.6Ge.sub.2O.sub.7 8.50E?07 0.43 P2.sub.1/C 14 31050 31 LiGaBr.sub.4 7.00E?6 0.54 P2.sub.1/C 14 61337 25 Li.sub.4Zn(PO.sub.4).sub.2 .sup.<1E?10 1.3 P2.sub.1/C 14 ?-Li.sub.4Zn(PO.sub.4).sub.2 255464 38 La(Li.sub.0.76Mg.sub.0.08)O.sub.2 7.27E?10 0.66 P2.sub.1/C 14 239280 36 (La.sub.0.9Sr.sub.0.1)LiO.sub.2 6.29E?10 0.62 P2.sub.1/C 14 239279 36 Li.sub.2Sr.sub.2Al(PO.sub.4).sub.3 .sup.<1E?10 1.02 P2.sub.1/C 14 431319 40 Li.sub.2.5V.sub.2(PO.sub.4).sub.3 1.9E?7 P2.sub.1/C 14 240269 37 Li.sub.2SnS.sub.3 1.50E?05 0.59 C2/c 15 251656 43 LiVO.sub.3 2.048E?9 C2/c 15 51443 48 Li.sub.6Zr.sub.2O.sub.7 5.20E?10 0.68 C2/c 15 73835 41 Li.sub.3AlF.sub.6 5.00E?07 0.54 C2/c 15 85171 42 LiTa.sub.2PO.sub.8 1.6E?3 0.32 C2/c 15 267438 44 LiBaP.sub.2O.sub.7 1.00E?10 C2/c 15 280927 45 Li.sub.3Na.sub.5(TiS.sub.4).sub.2 8.80E?06 0.4 C2/c 15 391258 46 LiGd(PO.sub.3).sub.4 .sup.<1E?10 1.7 C2/c 15 416442 47 Li.sub.3.7Zn.sub.0.7Ga.sub.0.3(PO.sub.4).sub.2 .sup.<1E?10 0.91 P2.sub.12.sub.12.sub.1 19 ?- 255466 38 Li.sub.3.7Zn.sub.0.7Ga.sub.0.3(PO.sub.4).sub.2 Li.sub.3SbS.sub.4 1.5E?6 0.518 Pmn2.sub.1 31 8407 51 Li.sub.3PS.sub.4 2.60E?07 0.49 Pmn2.sub.1 31 ?-Li.sub.3PS.sub.4 180318 52 Li.sub.3SbS.sub.3 1.00E?07 0.4 Pna2.sub.1 33 424834 55 LiGaO.sub.2 2.40E?14 0.86 Pna2.sub.1 33 18152 53 LiB.sub.6OgF 5.40E?24 1.38 Pna2.sub.1 33 420286 54 LiSi.sub.2N.sub.3 6.17E?08 0.64 Cmc2.sub.1 36 34118 56 Li.sub.2(PO.sub.2N) .sup.<1E?10 0.57 Cmc2.sub.1 36 188493 57 LiGa.sub.2GeS.sub.6 3.80E?08 0.47 Fdd2 43 254406 58 Li.sub.3AlO.sub.4 5.00E?10 0.99 Pmmn 59 16229 64 Li.sub.14Nd.sub.5(Si.sub.11N.sub.19O.sub.5)O.sub.2F.sub.2 1.7E?10 0.69 Pmmn 59 262923 65 Li.sub.2SiN.sub.2 1.60E?07 Pbca 61 420126 66 Li.sub.5GaO.sub.4 5.00E?09 0.71 Pbca 61 ?-Li.sub.5GaO.sub.4 9082 64 Li.sub.3PS.sub.4 1.60E?04 0.36 Pnma 62 ?-Li.sub.3PS.sub.4 180319 52 Li.sub.3PO.sub.4 4.2E?18 1.24 Pnma 62 ?-Li.sub.3PO.sub.4 79427 70 Li.sub.3PO.sub.4 .sup.<1E?10 1.14 Pnma 62 ?-Li.sub.3PO.sub.4 20208 68 Li.sub.4SnS.sub.4 7.0E?5 0.29 Pnma 62 290832 80 Li.sub.4SnSe.sub.4 .sup.2E?5 0.45 Pnma 62 193768 76 Li.sub.4GeS.sub.4 2.00E?07 0.53 Pnma 62 290831 79 Li.sub.4GeS.sub.4 .sup.2E?7 0.53 Pnma 62 92200 71 Li.sub.2ZnI.sub.4 4.00E?08 0.58 Pnma 62 402062 81 Li.sub.3.5Ge.sub.0.5V.sub.0.5O.sub.4 1.77E?5 Pnma 62 66576 84 Li.sub.6.6SiPO.sub.8 1.48E?7 0.49 Pnma 62 238601 16 Li.sub.3.75Ge.sub.0.75V.sub.0.25O.sub.4 5.66E?6 Pnma 62 150918 73 Li.sub.4Zn(PO.sub.4).sub.2 .sup.<1E?10 1.1 Pnma 62 ?- 255465 38 Li.sub.4Zn(PO.sub.4).sub.2 Li.sub.2.88PO.sub.3.73N.sub.0.14 1.4E?13 0.97 Pnma 62 79426 70 Li.sub.2Mg.sub.2(MoO.sub.4).sub.3 .sup.<1E?10 0.71 Pnma 62 170956 75 Li.sub.3.70Ge.sub.0.85W.sub.0.15O.sub.4 3.80E?5 Pnma 62 150920 73 Li.sub.14Zn(GeO.sub.4).sub.4 1.00E?06 0.24 Pnma 62 100169 72 Nd.sub.0.54Li.sub.0.36TiO.sub.3 3.42E?8 0.50 Pnma 62 81047 86 Li.sub.6.5O.sub.8P.sub.1.5Si.sub.0.5 4.49E?07 0.44 Pnma 62 238600 16 Pr.sub.0.51Li.sub.0.39TiO.sub.2.96 5.34E?7 0.44 Pnma 62 81048 86 LiZnSO.sub.4F 2.80E?05 0.2455 Pnma 62 261343 78 Li.sub.3.5Zn.sub.0.5Ga.sub.0.5(PO.sub.4).sub.2 .sup.<1E?10 1.02 Pnma 62 ?- 255468 38 Li.sub.3.5Zn.sub.0.5Ga.sub.0.5(PO.sub.4).sub.2 Li.sub.4H.sub.8C.sub.14O.sub.4 .sup.1E?8 0.777 Cmcm 63 LiCl*H.sub.2O 281198 88 Li.sub.2MgBr.sub.4 7.80E?10 0.77 Cmmm 65 73276 89 Li.sub.0.18La.sub.0.61TiO.sub.3 2.0E?4 0.432 Cmmm 65 99398 90 LiBiO.sub.2 3.80E?08 0.1 Ibam 72 46022 30 LiZnPS.sub.4 5.4E?8 I4 82 95785 69 (Li.sub.1.19Zn.sub.0.9)PS.sub.4 0.65E?5 0.25 I4 82 264463 69 (Li.sub.1.69Zn.sub.0.66)PS.sub.4 1.30E?4 0.181 I4 82 264462 69 (Li.sub.0.5Ce.sub.0.5)(MoO.sub.4) 1.3E?8 0.4 I4.sub.1/a 88 186450 91 (Li.sub.0.5Ce.sub.0.25Sm.sub.0.25)(MoO.sub.4) 1.8E?10 0.5 I4.sub.1/a 88 186452 91 (Li.sub.0.5Ce.sub.0.25Pr.sub.0.25)(MoO.sub.4) .sup.1E?9 0.5 I4.sub.1/a 88 186451 91 Li.sub.2TeO.sub.4 .sup.<1E?10 1.129 P4.sub.122 91 1485 92 Li.sub.3BN.sub.2 1.60E?10 0.67 P4.sub.22.sub.12 94 ?-Li.sub.3BN.sub.2 655673 93 Li.sub.2B.sub.4O.sub.7 1.00E?10 I4.sub.1cd 110 65930 94 La.sub.0.52Li.sub.0.45TiO.sub.3 5.01E?4 P4/mmm 123 50434 97 Li(NdTiO.sub.4) .sup.<1E?10 0.87 P4/nmmZ 129 91844 99 Li.sub.4PS.sub.4I 1.2E?4 0.37 P4/nmmZ 129 432169 101 Li(LaTiO.sub.4) .sup.<1E?10 0.83 P4/nmmZ 129 91843 99 La.sub.0.62Li.sub.0.14(Mg.sub.0.5W.sub.0.5)O.sub.3 1.2E?5 0.37 P4/nmm 129 151902 100 Li.sub.6ZnO.sub.4 9.40E?09 0.61 P4.sub.2/nmc 137 62137 64 Li.sub.10SnP.sub.2S.sub.12 .sup.7E?3 0.27 P4.sub.2/nmc C 137 193755 107 Li.sub.10SnP.sub.2S.sub.12 3.98E?3 0.305 P4.sub.2/nmc 137 255750 108 Li.sub.10GePS.sub.12 1.21E?2 P4.sub.2/nmc 137 188887 104 Li.sub.10GeP.sub.2S.sub.12 2.46E?2 0.274 P4.sub.2/nmc 137 241439 108 Li.sub.10GeP.sub.2S.sub.12 1.20E?02 0.25 P4.sub.2/nmc 137 255749 110 Li.sub.10.35Ge.sub.1.35P.sub.1.65S.sub.12 1.44E?2 0.269 P4.sub.2/nmc S 137 193947 104 Li.sub.10.35Si.sub.1.35P.sub.1.65S.sub.12 6.5E?3 P4.sub.2/nmcS 137 252037 109 Li.sub.9.81Sn.sub.0.81P.sub.2.19S.sub.12 5.5E?3 P4.sub.2/nmc 137 252040 109 Li.sub.10.2(Sn.sub.0.2Si.sub.0.8).sub.1.2P.sub.1.8S.sub.12 7.82E?3 P4.sub.2/nmcS 137 5667 111 Li.sub.10.2(Sn.sub.0.2Si.sub.0.8).sub.1.2P.sub.1.8S.sub.12 2.69E?3 P4.sub.2/nmcS 137 257948 111 Li.sub.10.5(Sn.sub.0.2Si.sub.0.8).sub.1.5P.sub.1.5S.sub.12 8.79E?3 P4.sub.2/nmcS 137 5668 111 Li.sub.10(Ge.sub.0.776Sn.sub.0.224)P.sub.2S.sub.12 1.41E?2 0.276 P4.sub.2/nmc 137 255748 108 LiLaNb.sub.2O.sub.7 <1E?8 I4/mmm 139 72566 114 Li.sub.4Sr.sub.3Nb.sub.6O.sub.20 .sup.<1E?10 I4/mmm 139 87824 115 Li.sub.4Sr.sub.3.056Nb.sub.6O.sub.20 .sup.<1E?10 0.74 I4/mmm 139 109168 115 Li.sub.4Sr.sub.3Nb.sub.5.77Fe.sub.0.23O.sub.19.77 .sup.<1E?10 I4/mmm 139 87823 115 Li.sub.4SrN.sub.2 2.30E?13 0.9 I4.sub.1/amd 141 87413 116 LiAlO.sub.2 1.10E?12 0.97 I4.sub.1/amd 141 r-LiAlO.sub.2 99517 33 LiSCO.sub.2 .sup.<1E?10 1.047 I4.sub.1/amd 141 257819 117 LiSCO.sub.2 1.00E?12 0.87 I4.sub.1/amd 141 36124 33 Li.sub.0.9Sc.sub.0.9Zr.sub.0.1O.sub.2 .sup.<1E?10 0.912 I4.sub.1/amd 141 257820 117 Li.sub.7La.sub.3Zr.sub.2O.sub.12 1.63E?6 0.54 I4.sub.1/acdZ 142 tetraganol-LLZO 183684 119 LiAlGeO.sub.4 .sup.<1E?10 0.97 R3H 146 257741 123 LiGaSiO.sub.4 3.00E?16 0.9 R3H 146 65125 122 LiGa.sub.0.5Al.sub.0.5GeO.sub.4 .sup.<1E?10 1.06 R3H 146 257740 123 LiNaSO.sub.4 8.80E?10 P31c 159 14364 125 Li.sub.5NCl.sub.2 1.20E?06 0.5 R3m 166 84763 131 LiGe.sub.2(PO.sub.4).sub.3 4.83E?9 0.654 R3cH 167 69763 133 LiZr.sub.2(PO.sub.4).sub.3 2.96E?10 R3cH 167 201935 2 LiTi.sub.2(PO.sub.4).sub.3 7.61E?6 0.38 R3cH 167 95979 132 LiGe.sub.2(PO.sub.4).sub.3 3.33E?7 R3cH 167 263767 2 Li.sub.1.3(Al.sub.0.23Y.sub.0.07Ti.sub.1.7)(PO.sub.4).sub.3 3.84E?8 R3cH 167 253243 138 Li.sub.9Mg.sub.3(PO.sub.4).sub.4F.sub.3 .sup.<1E?10 0.835 P6.sub.3 173 426103 148 LiLa.sub.9Si.sub.6O.sub.26 .sup.<1E?10 P6.sub.3/m 176 291218 150 Li.sub.0.284Sm.sub.4.512Si.sub.3O.sub.12.91 .sup.<1E?10 P6.sub.3/m 176 83279 150 Pb.sub.6.12Ca.sub.1.9Li.sub.1.96(PO.sub.4).sub.6 .sup.<1E?10 1.05 P6.sub.3/m 176 59615 149 Li.sub.5La.sub.3Nb.sub.2O.sub.12 .sup.8E?6 0.43 I2.sub.13 199 54865 159 (K.sub.0.1Li.sub.0.9)(SbO.sub.3) 1.36E?8 Pn3Z 201 200984 160 Li.sub.2CoTi.sub.3O.sub.8 .sup.<1E?10 1.33 P4.sub.332 212 86166 163 Li.sub.2ZnGe.sub.3O.sub.8 .sup.<1E?10 2.14 P4.sub.332 212 86169 163 Li.sub.2MgTi.sub.3O.sub.8 .sup.<1E?10 0.71 P4.sub.332 212 86165 163 (Li.sub.0.55Mg.sub.0.45)(Li.sub.0.445Mg.sub.0.055)Ti.sub.1.504 1.53E?11 0.786 P4.sub.332 212 168145 164 (Li.sub.0.61Mg.sub.0.39)(Li.sub.0.46Mg.sub.0.005Ti.sub.0.035)Ti.sub.1.504 6.56E?10 0.685 P4.sub.332 212 168144 164 Li.sub.2VCl.sub.4 6.95E?6 F43m 216 74959 166 Li.sub.5NI.sub.2 4.00E?6 F43m 216 16800 165 Li.sub.6PO.sub.5Cl 5.54E?10 0.66 F43m 216 421479 173 Li.sub.7PN.sub.4 1.60E?07 0.4 P43n 218 69017 95 Li.sub.9NS.sub.3 8.30E?07 0.52 Pm3m 221 240749 185 Li.sub.3OBr 1.10E?06 0.74 Pm3m 221 67265 194,195 Li.sub.2(OH)Br 1.20E?6 0.75 Pm3m 221 200874 184 LiI .sup.1E?7 Fm3m 225 414244 197 Li.sub.7.2N.sub.1.6Cl.sub.2.4 8.4E?7 0.49 Fm3m 225 49646 131 Li.sub.0.19La.sub.0.67(Ti.sub.0.9Co.sub.0.1)O.sub.3 1.08E?4 Fm3m 225 151535 182 LiCdCl.sub.4 5.80E?07 0.44 Fd3m 227 74958 199 Li.sub.2MnCl.sub.4 4.79E?6 Fd3m 227 69678 166 Li.sub.2MgCl.sub.4 6.24E?7 Fd3m 227 74957 166 LiSrTa.sub.2O.sub.6F .sup.<1E?10 0.604 Fd3m 227 236010 200 Li.sub.1.9Mn.sub.0.9Ga.sub.0.1Cl.sub.4 2.37E?7 Fd3m 227 50305 198 Li(Li.sub.0.34Ti.sub.1.66)O.sub.4 6.03E?8 0.506 Fd3m 227 168137 164 (Li.sub.0.74Mg.sub.0.26)(Li.sub.0.40Mg.sub.0.04Ti.sub.1.56)O.sub.4 1.51E?9 0.639 Fd3m 227 168142 164 (Li.sub.0.826Mg.sub.0.174)(Li.sub.0.374Mg.sub.0.026Ti.sub.1.60)O.sub.4 4.24E?9 0.615 Fd3m 227 168141 164

Section III. Labels Used for the Final SOAP Model

[0434] Once the best-performing descriptor-simplification is identified, an expanded set of labels can be employed. The mathematical transformation for the SOAP descriptor is compatible with most of the ?26,000 structures. In addition to the 155 labels used for descriptor comparisons, 64 labels were added. The full list of labels is included in the table below:

TABLE-US-00005 ?.sub.25? C. E.sub.a Space Space Other Compound (S cm.sup.?1) (eV) Group Group # names ICSD Citation Li.sub.4P.sub.2O.sub.71 .sup.<1E?10 1.617 P1 2 248414 8 Li.sub.7P.sub.3S.sub.11 3.2E?3 0.124 P1 2 157654 5 Li.sub.7BiO.sub.6 8.80E?07 0.58 P1 2 155950 3 Li.sub.7SbO.sub.6 6.70E?08 0.7 P1 2 413370 3 Li.sub.6CuB.sub.4O.sub.10 1.00E?13 0.92 P1 2 ?-Li.sub.6CuB.sub.4O.sub.10 4819 10 LiAlSi.sub.3O.sub.8 1.30E?10 C1 2 81980 1 Li.sub.3BP.sub.2O.sub.8 9.60E?12 0.62 P1 2 248343 7 LiSn.sub.2(PO.sub.4).sub.3 2.04E?9 P1 2 83832 2 LiV(PO.sub.4)F 8.1E?7 0.23 P1 2 183876 6 LiMgSO.sub.4F 5.40E?08 0.54 P1 2 281119 9 Li.sub.2NaBP.sub.2O.sub.8 4.40E?18 1.21 P1 2 291512 7 Li.sub.2ZnGeO.sub.4 1.00E?07 0.4 Pc 7 34362 13 Li.sub.4SiO.sub.4 5.00E?10 0.55 P2.sub.1/m 11 238603 17 Li.sub.4SiS.sub.4 5.00E?08 0.56 P2.sub.1/m 11 59708 15 Li.sub.3.7P.sub.0.3Si.sub.0.7O.sub.4 3.84E?7 P2.sub.1/m 11 35168 19 Li.sub.7.22Si.sub.1.5P.sub.0.5O.sub.8 1.64E?7 0.48 P2.sub.1/m 11 238602 16 Li.sub.2P.sub.2S.sub.6 7.80E?11 0.48 C2/m 12 253894 21 Li.sub.3InCl.sub.6 2.04E?3 0.35 C2/m 12 89617 20 Li.sub.17Sb.sub.13S.sub.28 1.05E?9 0.4 C2/m 12 429902 24 LiPO.sub.3 1.00E?09 P2/c 13 51630 28 LiAlSi.sub.4O.sub.10 1.01E?10 P2/c 13 194284 1 LaLiO.sub.2 .sup.<1E?10 0.92 P2.sub.1/c 14 239278 36 LiBO.sub.2 1.00E?08 0.71 P2.sub.1/c 14 200891 34 LiSbO.sub.2 .sup.<1E?10 0.88 P2.sub.1/c 14 262075 39 LiYO.sub.2 1.80E?08 0.72 P2.sub.1/c 14 45511 33 Li.sub.3BO.sub.3 7.40E?11 0.63 P2.sub.1/c 14 9105 30 Li.sub.2SO.sub.4 1.40E?14 1.1 P2.sub.1/c 14 2512 29 LiGaBr.sub.4 7.00E?6 0.54 P2.sub.1/c 14 61337 25 LiAlCl.sub.4 1.00E?06 0.47 P2.sub.1/c 14 35275 32 Li.sub.6Ge.sub.2O.sub.7 8.50E?07 0.43 P2.sub.1/c 14 31050 31 Li.sub.4Zn(PO.sub.4).sub.2 .sup.<1E?10 1.3 P2.sub.1/c 14 ?-Li.sub.4Zn(PO.sub.4).sub.2 255464 38 Li.sub.2.5V.sub.2(PO.sub.4).sub.3 1.9E?7 P2.sub.1/c 14 240269 37 La(Li.sub.0.76Mg.sub.0.08)O.sub.2 7.27E?10 0.66 P2.sub.1/c 14 239280 36 (La.sub.0.9Sr.sub.0.1)LiO.sub.2 6.29E?10 0.62 P2.sub.1/c 14 239279 36 Li.sub.2Sr.sub.2Al(PO.sub.4).sub.3 .sup.<1E?10 1.02 P2.sub.1/c 14 431319 40 LiClC.sub.3H.sub.7NO 1.6E?4 0.881 P2.sub.1/c 14 238683 35 Li.sub.2CrCl.sub.4 .sup.<1E?10 1.22 C2/c 15 202627 49 Li.sub.2ZrO.sub.3 6.10E?10 0.78 C2/c 15 94894 33 Li.sub.6Zr.sub.2O.sub.7 5.20E?10 0.68 C2/c 15 73835 41 Li.sub.3AlF.sub.6 5.00E?07 0.54 C2/c 15 85171 42 Li.sub.2SnS.sub.3 1.50E?05 0.59 C2/c 15 251656 43 LiVO.sub.3 2.048E?9 C2/c 15 51443 48 LiTa.sub.2PO.sub.8 1.6E?3 0.32 C2/c 15 267438 44 LiBaP.sub.2O.sub.7 1.00E?10 C2/c 15 280927 45 LiGd(PO.sub.3).sub.4 .sup.<1E?10 1.7 C2/c 15 416442 47 Li.sub.3Na.sub.5(TiS.sub.4).sub.2 8.80E?06 0.4 C2/c 15 391258 46 Li.sub.3.7Zn.sub.0.7Ga.sub.0.3(PO.sub.4).sub.2 .sup.<1E?10 0.91 P2.sub.12.sub.12.sub.1 19 ?-Li.sub.3.7Zn.sub.0.7Ga.sub.0.3(PO.sub.4).sub.2 255466 38 Li.sub.3SbS.sub.4 1.5E?6 0.518 Pmn2.sub.1 31 8407 51 Li.sub.3PS.sub.4 2.60E?07 0.49 Pmn2.sub.1 31 ?-Li.sub.3PS.sub.4 180318 52 Li.sub.3SbS.sub.3 1.00E?07 0.4 Pna2.sub.1 33 424834 55 LiGaO.sub.2 2.40E?14 0.86 Pna2.sub.1 33 18152 53 LiB.sub.6O.sub.9F 5.40E?24 1.38 Pna2.sub.1 33 420286 54 LiSi.sub.2N.sub.3 6.17E?08 0.64 Cmc2.sub.1 36 34118 56 Li.sub.2(PO.sub.2N) .sup.<1E?10 0.57 Cmc2.sub.1 36 188493 57 LiGa.sub.2GeS.sub.6 3.80E?08 0.47 Fdd2 43 254406 58 La.sub.0.595Li.sub.0.215TiO.sub.3 8.53E?4 Pmmm 47 92234 59 La.sub.0.62Li.sub.0.14TiO.sub.3 4.42E?4 Pmmm 47 92231 59 La.sub.0.64Li.sub.0.08TiO.sub.3 3.35E?4 Pmmm 47 92228 59 Li.sub.0.02Na.sub.0.48La.sub.0.5Nb.sub.2O.sub.6 3.99E?6 Pmmm 47 180635 60 Li.sub.0.04Na.sub.0.46La.sub.0.5Nb.sub.2O.sub.6 5.91E?6 Pmmm 47 180634 60 Li.sub.0.07Na.sub.0.43La.sub.0.5Nb.sub.2O.sub.6 1.23E?5 Pmmm 47 180633 60 Li.sub.0.1Na.sub.0.4La.sub.0.5Nb.sub.2O.sub.6 1.21E?5 Pmmm 47 180632 60 Li.sub.0.2Na.sub.0.3La.sub.0.5Nb.sub.2O.sub.6 1.18E?5 Pmmm 47 180631 60 Li.sub.0.3Na.sub.0.2La.sub.0.5Nb.sub.2O.sub.6 1.11E?5 Pmmm 47 180630 60 Li.sub.0.4Na.sub.0.1La.sub.0.5Nb.sub.2O.sub.6 9.92E?6 Pmmm 47 180629 60 Li.sub.5AlO.sub.4 5.00E?10 0.99 Pmmn 59 16229 64 Li.sub.14Nd.sub.5(Si.sub.11N.sub.19O.sub.5)O.sub.2F.sub.2 1.7E?10 0.69 Pmmn 59 262923 65 Li.sub.2SiN.sub.2 1.60E?07 Pbca 61 420126 66 Li.sub.5GaO.sub.4 5.00E?09 0.71 Pbca 61 ?-Li.sub.5GaO.sub.4 9082 64 Li.sub.3PO.sub.4 4.2E?18 1.24 Pnma 62 ?-Li.sub.3PO.sub.4 79427 70 Li.sub.3PO.sub.4 .sup.<1E?10 1.14 Pnma 62 ?-Li.sub.3PO.sub.4 20208 68 Li.sub.3PS.sub.4 1.60E?04 0.36 Pnma 62 ?-Li.sub.3PS.sub.4 180319 52 Li.sub.4SnS.sub.4 7.0E?5 0.29 Pnma 62 290832 80 Li.sub.4SnSe.sub.4 .sup.2E?5 0.45 Pnma 62 193768 76 Li.sub.4GeS.sub.4 2.00E?07 0.53 Pnma 62 290831 79 Li.sub.4GeS.sub.4 .sup.2E?7 0.53 Pnma 62 92200 71 Li(BH.sub.4) .sup.1E?8 Pnma 62 239763 77 Li.sub.2ZnI.sub.4 4.00E?08 0.58 Pnma 62 402062 81 Li.sub.4Zn(PO.sub.4).sub.2 .sup.<1E?10 1.1 Pnma 62 ?-Li.sub.4Zn(PO.sub.4).sub.2 255465 38 Li.sub.2Mg.sub.2(MoO.sub.4).sub.3 .sup.<1E?10 0.71 Pnma 62 170956 75 Li.sub.0.2Ca.sub.0.4TaO.sub.3 3.53E?9 0.54 Pnma 62 151936 74 Li.sub.3.5Ge.sub.0.5V.sub.0.5O.sub.4 1.77E?5 Pnma 62 66576 84 Li.sub.3.75Ge.sub.0.75 V.sub.0.25O.sub.4 5.66E?6 Pnma 62 150918 73 Li.sub.14Zn(GeO.sub.4).sub.4 1.00E?06 0.24 Pnma 62 100169 72 Li.sub.3.70Ge.sub.0.85W.sub.0.15O.sub.4 3.80E?5 Pnma 62 150920 73 Li.sub.6.6SiPO.sub.8 1.48E?7 0.49 Pnma 62 238601 16 Li.sub.2.88PO.sub.3.73N.sub.0.14 1.4E?13 0.97 Pnma 62 79426 70 Li.sub.6.5O.sub.8P.sub.1.5Si.sub.0.5 4.49E?07 0.44 Pnma 62 238600 16 Nd.sub.0.54Li.sub.0.36TiO.sub.3 3.42E?8 0.50 Pnma 62 81047 86 Pr.sub.0.51Li.sub.0.39TiO.sub.2.96 5.34E?7 0.44 Pnma 62 81048 86 LiZnSO.sub.4F 2.80E?05 0.2455 Pnma 62 261343 78 Li.sub.3.5Zn.sub.0.5Ga.sub.0.5(PO.sub.4).sub.2 .sup.<1E?10 1.02 Pnma 62 ?-Li.sub.3.5Zn.sub.0.5Ga.sub.0.5(PO.sub.4).sub.2 255468 38 Li.sub.0.2(Ca.sub.0.36Sr.sub.0.04)TaO.sub.3 9.2E?9 Pnma 62 151937 74 Li.sub.4GeO.sub.4 2.80E?10 0.73 Cmcm 63 18096 87 Li.sub.4H.sub.8Cl.sub.4O.sub.4 .sup.1E?8 0.777 Cmcm 63 LiCl*H.sub.2O 281198 88 Li.sub.2MgBr.sub.4 7.80E?10 0.77 Cmmm 65 73276 89 Li.sub.0.18La.sub.0.61TiO.sub.3 2.0E?4 0.432 Cmmm 65 99398 90 LiBiO.sub.2 3.80E?08 0.1 Ibam 72 46022 30 LiZnPS.sub.4 5.4E?8 I4 82 95785 69 (Li.sub.1.19Zn.sub.0.9)PS.sub.4 0.65E?5 0.25 I4 82 264463 69 (Li.sub.1.69Zn.sub.0.66)PS.sub.4 1.30E?4 0.181 I4 82 264462 69 (Li.sub.0.5Ce.sub.0.5)(MoO.sub.4) 1.3E?8 0.4 I4.sub.1/a 88 186450 91 (Li.sub.0.5Ce.sub.0.25Sm.sub.0.25)(MoO.sub.4) 1.8E?10 0.5 I4.sub.1/a 88 186452 91 (Li.sub.0.5Ce.sub.0.25Pr.sub.0.25)(MoO.sub.4) .sup.1E?9 0.5 I4.sub.1/a 88 186451 91 Li.sub.2TeO.sub.4 .sup.<1E?10 1.129 P4.sub.122 91 1485 92 Li.sub.3BN.sub.2 1.60E?10 0.67 P4.sub.22.sub.12 94 ?-Li.sub.3BN.sub.2 655673 93 Li.sub.2B.sub.4O.sub.7 1.00E?10 I4.sub.1cd 110 65930 94 LiY(BH.sub.4).sub.4 1.26E?6 P42c 112 239762 77 LiPN.sub.2 1.6E?7 0.40 I42d 122 66007 95 Li.sub.0.33La.sub.0.5TiO.sub.3 .sup.1E?3 0.15 P4/mmm 123 82671 96 La.sub.0.5Li.sub.0.5TiO.sub.3 9.25E?4 0.39 P4/mmm 123 92236 59 La.sub.0.52Li.sub.0.45TiO.sub.3 5.01E?4 P4/mmm 123 50434 97 La.sub.0.565Li.sub.0.305TiO.sub.3 9.57E?4 P4/mmm 123 92235 59 La.sub.0.58Li.sub.0.27TIO.sub.3 5.99E?4 P4/mmm 123 82672 97 Li.sub.4PS.sub.4I 1.2E?4 0.37 P4/nmmZ 129 432169 101 Li(LaTiO.sub.4) .sup.<1E?10 0.83 P4/nmmZ 129 91843 99 Li(NdTiO.sub.4) .sup.<1E?10 0.87 P4/nmmZ 129 91844 99 La.sub.0.62Li.sub.0.14(Mg.sub.0.5W.sub.0.5)O.sub.3 1.2E?5 0.37 P4/nmm 129 151902 100 La.sub.0.63Li.sub.0.11(Mg.sub.0.5W.sub.0.5)O.sub.3 6.8E?6 0.38 P4/nmm 129 151901 100 La.sub.0.65Li.sub.0.05(Mg.sub.0.5W.sub.0.5)O.sub.3 1.8E?7 0.46 P4/nmm 129 151900 100 Li.sub.6ZnO.sub.4 9.40E?09 0.61 P4.sub.2/nmc 137 62137 64 Li.sub.10SnP.sub.2S.sub.12 3.98E?3 0.305 P4.sub.2/nmc 137 255750 108 Li.sub.10SnP.sub.2S.sub.12 .sup.7E?3 0.27 P4.sub.2/nmc C 137 193755 107 Li.sub.10GePS.sub.12 1.21E?2 P4.sub.2/nmc 137 188887 104 Li.sub.10GeP.sub.2S.sub.12 1.20E?02 0.25 P4.sub.2/nmc 137 255749 110 Li.sub.10GeP.sub.2S.sub.12 2.46E?2 0.274 P4.sub.2/nmc 137 241439 108 Li.sub.10.35Ge.sub.1.35P.sub.1.65S.sub.12 1.44E?2 0.269 P4.sub.2/nmc S 137 193947 104 Li.sub.10.35Si.sub.1.35P.sub.1.65S.sub.12 6.5E?3 P4.sub.2/nmcS 137 252037 109 Li.sub.9.81Sn.sub.0.81P.sub.2.19S.sub.12 5.5E?3 P4.sub.2/nmc 137 252040 109 Li.sub.10(Ge.sub.0.776Sn.sub.0.224)P.sub.2S.sub.12 1.41E?2 0.276 P4.sub.2/nmc 137 255748 108 Li.sub.10.2(Sn.sub.0.2Si.sub.0.8).sub.1.2P.sub.1.8S.sub.12 7.82E?3 P4.sub.2/nmcS 137 5667 111 Li.sub.10.2(Sn.sub.0.2Si.sub.0.8).sub.1.2P.sub.1.8S.sub.12 2.69E?3 P4.sub.2/nmcS 137 257948 111 Li.sub.10.5(Sn.sub.0.2Si.sub.0.8).sub.1.5P.sub.1.5S.sub.12 8.79E?3 P4.sub.2/nmcS 137 5668 111 LiLaNb.sub.2O.sub.7 <1E?8 I4/mmm 139 72566 114 Li.sub.4Sr.sub.3Nb.sub.6O.sub.20 .sup.<1E?10 I4/mmm 139 87824 115 Li.sub.4Sr.sub.3.056Nb.sub.6O.sub.20 .sup.<1E?10 0.74 I4/mmm 139 109168 115 Li.sub.4Sr.sub.3Nb.sub.5.77Fe.sub.0.23O.sub.19.77 .sup.<1E?10 I4/mmm 139 87823 115 Li.sub.3BN.sub.2 8.70E?08 0.55 I4.sub.1/amd 141 ?-Li.sub.3BN.sub.2 155126 93 LiScO.sub.2 .sup.<1E?10 1.047 I4.sub.1/amd 141 257819 117 LiScO.sub.2 1.00E?12 0.87 I4.sub.1/amd 141 36124 33 Li.sub.4SrN.sub.2 2.30E?13 0.9 I4.sub.1/amd 141 87413 116 LiAlO.sub.2 1.10E?12 0.97 I4.sub.1/amd 141 r-LiAlO.sub.2 99517 33 Li.sub.0.9Sc.sub.0.9Zr.sub.0.1O.sub.2 .sup.<1E?10 0.912 I4.sub.1/amd 141 257820 117 Li.sub.7La.sub.3Zr.sub.2O.sub.12 1.63E?6 0.54 I4.sub.1/acdZ 142 tetraganol-LLZO 183684 119 Li.sub.7La.sub.3Zr.sub.2O.sub.12 9.9E?6 0.43 I4.sub.1/acdZ 142 238687 121 Li.sub.7La.sub.3HfO.sub.12 9.85E?7 0.53 I4.sub.1/acdZ 142 tetragonal-LLHO 174202 118 LiAlGeO.sub.4 .sup.<1E?10 0.97 R3H 146 257741 123 LiGaSiO.sub.4 3.00E?16 0.9 R3H 146 65125 122 LiGa.sub.0.5Al.sub.0.5GeO.sub.4 .sup.<1E?10 1.06 R3H 146 257740 123 LiGaGeO.sub.4 .sup.<1E?10 1.12 R3 148 257739 123 LiNaSO.sub.4 8.80E?10 P31c 159 14364 125 Li.sub.4P.sub.2S.sub.6 2.38E?07 0.29 P31m 162 242170 127 Li.sub.2.667Mg.sub.0.667P.sub.2S.sub.6 4.00E?06 0.46 P31m 162 95607 126 Li.sub.3.333Mg.sub.0.333P.sub.2S.sub.6 8.20E?8 0.517 P31m 162 95606 126 Li.sub.3ErCl.sub.6 3.3E?4 0.41 P3m1 164 50151 129 Li.sub.5NCl.sub.2 1.20E?06 0.5 R3m 166 84763 131 LiGe.sub.2(PO.sub.4).sub.3 3.33E?7 R3cH 167 263767 2 LiGe.sub.2(PO.sub.4).sub.3 4.83E?9 0.654 R3cH 167 69763 133 LiZr.sub.2(PO.sub.4).sub.3 2.96E?10 R3cH 167 201935 2 LiTi.sub.2(PO.sub.4).sub.3 7.61E?6 0.38 R3cH 167 95979 132 Li(Ti.sub.0.4Sn.sub.1.6)(PO.sub.4).sub.3 3.15E?6 R3cH 167 183677 135 Li(Ti.sub.0.6Sn.sub.1.4)(PO.sub.4).sub.3 9.42E?6 R3cH 167 183676 135 Li(Ti.sub.1.4Sn.sub.0.6)(PO.sub.4).sub.3 2.28E?5 0.32 R3cH 167 183672 135 Li.sub.1.3Al.sub.0.3Ti.sub.1.7(PO.sub.4).sub.3 .sup.7E?4 R3cH 167 257190 139 Li.sub.1.3(Al.sub.0.3Ti.sub.1.7)(PO.sub.4).sub.3 8.02E?7 R3cH 167 253240 138 Li.sub.1.2Al.sub.0.2Ge.sub.1.8(PO.sub.4).sub.3 4.83E?5 0.387 R3cH 167 263760 133 Li.sub.1.3(Al.sub.0.23Y.sub.0.07Ti.sub.1.7)(PO.sub.4).sub.3 3.84E?8 R3cH 167 253243 138 Li.sub.1.3(Al.sub.0.23Sc.sub.0.07Ti.sub.1.7)(PO.sub.4).sub.3 1.94E?7 R3cH 167 253242 138 Li.sub.1.3(Al.sub.0.23Ga.sub.0.07Ti.sub.1.7)(PO.sub.4).sub.3 4.46E?6 R3cH 167 253241 138 LiIO.sub.3 1.90E?07 P6.sub.3 173 35473 147 Li.sub.9Mg.sub.3(PO.sub.4).sub.4F.sub.3 .sup.<1E?10 0.835 P6.sub.3 173 426103 148 LiEu.sub.9Si.sub.6O.sub.26 .sup.<1E?10 P6.sub.3/m 176 291220 150 LiLa.sub.9Si.sub.6O.sub.26 .sup.<1E?10 P6.sub.3/m 176 291218 150 Li.sub.0.284Sm.sub.4.512Si.sub.3O.sub.12.91 .sup.<1E?10 P6.sub.3/m 176 83279 150 Pb.sub.6.12Ca.sub.1.9Li.sub.1.96(PO.sub.4).sub.6 .sup.<1E?10 1.05 P6.sub.3/m 176 59615 149 Li.sub.3(NH.sub.2).sub.2I .sup.1E?5 0.58 P6.sub.3mc 186 167528 152 Ba.sub.3LiTa.sub.5ZrSi.sub.4O.sub.26 .sup.<1E?10 0.79 P62m 189 239277 153 Li.sub.3N 1.2E?3 0.25 P6/mmm 191 26540 154 Li.sub.3N 3.00E?04 0.26 P6/mmm 191 156894 155 Fe.sub.2Na.sub.2K(Li.sub.3Si.sub.12O.sub.30) .sup.<1E?10 1.22 P6/mcc 192 235750 156 Li.sub.3P 7.03E?4 0.18 P6.sub.3/mmc 194 642223 157 Li.sub.5La.sub.3Nb.sub.2O.sub.12 .sup.8E?6 0.43 I2.sub.13 199 54865 159 (K.sub.0.1Li.sub.0.9)(SbO.sub.3) 1.36E?8 Pn3Z 201 200984 160 Li.sub.8SiP.sub.4 4.5E?5 0.404 Pa3 205 235186 161 Li.sub.8GeP.sub.4 1.8E?5 0.435 Pa3 205 ?-Li.sub.8GeP.sub.4 235184 161 Li.sub.3AlN.sub.2 5.00E?08 0.45 Ia3 206 257464 162 Li.sub.2ZnGe.sub.3O.sub.8 .sup.<1E?10 2.14 P4.sub.332 212 86169 163 Li.sub.2MgTi.sub.3O.sub.8 .sup.<1E?10 0.71 P4.sub.332 212 86165 163 Li.sub.2CoTi.sub.3O.sub.8 .sup.<1E?10 1.33 P4.sub.332 212 86166 163 (Li.sub.0.55Mg.sub.0.45)(Li.sub.0.445Mg.sub.0.055)Ti.sub.1.504 1.53E?11 0.786 P4.sub.332 212 168145 164 (Li.sub.0.61Mg.sub.0.39)(Li.sub.0.46Mg.sub.0.005Ti.sub.0.035)Ti.sub.1.504 6.56E?10 0.685 P4.sub.332 212 168144 164 Li.sub.2VCl.sub.4 6.95E?6 F43m 216 74959 166 Li.sub.5NI.sub.2 4.00E?6 F43m 216 16800 165 Li.sub.6PO.sub.5Cl 5.54E?10 0.66 F43m 216 421479 173 LiCe(BH.sub.4).sub.3Cl 1.03E?4 I43m 217 185218 178 Li.sub.7PN.sub.4 1.60E?07 0.4 P43n 218 69017 95 Li.sub.4B.sub.7O.sub.12Cl 2.4E?5 F43c 219 1125 179 Li.sub.9NS.sub.3 8.30E?07 0.52 Pm3m 221 240749 185 Li.sub.3OBr 1.10E?06 0.74 Pm3m 221 67265 194, 195 Li.sub.2(OH)Br 1.20E?6 0.75 Pm3m 221 200874 184 (La.sub.0.55Li.sub.0.45)(Ti.sub.0.9Al.sub.0.1)O.sub.3 1.51E?3 Pm3m 221 254045 186 (La.sub.0.6Li.sub.0.4)(Ti.sub.0.8Al.sub.0.2)O.sub.3 5.68E?4 Pm3m 221 254046 186 (La.sub.0.65Li.sub.0.35)(Ti.sub.0.7Al.sub.0.3)O.sub.3 1.61E?4 Pm3m 221 254047 186 (La.sub.0.402Li.sub.0.368Sr.sub.0.230)(TiO.sub.3) 2.87E?5 0.36 Pm3m 221 190827 183 (La.sub.0.46Li.sub.0.429Sr.sub.0.111)(TiO.sub.3) 1.97E?4 0.33 Pm3m 221 190826 183 (La.sub.0.49Li.sub.0.461Sr.sub.0.049)(TiO.sub.3) 7.09E?4 0.33 Pm3m 221 190825 183 (Li.sub.0.16Sr.sub.0.69)(Ga.sub.0.25Ta.sub.0.75)O.sub.3 3.69E?6 0.359 Pm3m 221 291520 187 Li.sub.0.31La.sub.0.63((Ti.sub.0.9Co.sub.0.1)O.sub.3 2.60E?4 Pm3m 221 151533 182 LiI .sup.1E?7 Fm3m 225 414244 197 Li.sub.7.2N.sub.1.6Cl.sub.2.4 8.4E?7 0.49 Fm3m 225 49646 131 Li.sub.0.19La.sub.0.67(Ti.sub.0.9Co.sub.0.1)O.sub.3 1.08E?4 Fm3m 225 151535 182 LiCdCl.sub.4 5.80E?07 0.44 Fd3m 227 74958 199 Li.sub.2MgCl.sub.4 6.24E?7 Fd3m 227 74957 166 Li.sub.2MnCl.sub.4 4.79E?6 Fd3m 227 69678 166 Li(Li.sub.0.34Ti.sub.1.66)O.sub.4 6.03E?8 0.506 Fd3m 227 168137 164 Li.sub.1.9Mn.sub.0.9Ga.sub.0.1Cl.sub.4 2.37E?7 Fd3m 227 50305 198 (Li.sub.0.74Mg.sub.0.26)(Li.sub.0.40Mg.sub.0.04Ti.sub.1.56)O.sub.4 1.51E?9 0.639 Fd3m 227 168142 164 (Li.sub.0.826Mg.sub.0.174)(Li.sub.0.374Mg.sub.0.026Ti.sub.1.60)O.sub.4 4.24E?9 0.615 Fd3m 227 168141 164 LiSrTa.sub.2O.sub.6F .sup.<1E?10 0.604 Fd3m 227 236010 200

Section IV. W.SUB.? Optimization

[0435] Ward's minimum variance method applied to the conductivity labels (W?) is used to assess the utility of each descriptor-simplification combination. The W? is calculated after agglomerative clustering, for each clustering set:

[00004]$W_{?}={.Math.}_{k=1}^{n_C}{.Math.}_{i?C_k}{\left[{\log \left({?}_{\mathrm{RT}}\right)}_i-{\stackrel{\_}{\log \left({?}_{\mathrm{RT}}\right)}}_k\right]}^2$ [0436] where n.sub.c is the number of clusters in a set, C.sub.k is cluster k, and where log(?.sub.RT).sub.k denotes the mean for all labels in cluster k. Lower W? values indicate that the descriptor-simplification combination results in clustering where structures with similar conductivity are grouped together. Whereas a large W? indicates that the clusters have little correlation to the conductivity labels.

[0437] A frozen-state strategy is employed to prevent any label from dropping out of the W? calculation. The frozen-state strategy operates by calculating the partial variance (PV) for each label at each clustering depth:

[00005]${\mathrm{PV}}_{x,C_k}={\left[{\log \left({?}_{\mathrm{RT}}\right)}_x-{\stackrel{\_}{\log \left({?}_{\mathrm{RT}}\right)}}_k\right]}^2$ [0438] where PV.sub.x,C.sub.k is the partial variance for label x, when label x is assigned to cluster k. The PV for each label is saved before summing all the partial variances to yield the W?. At each subsequent clustering depth, all new clusters are checked to determine whether any cluster contains a single label. If a label is the only label in a cluster, then that label's partial variance is frozen: its PV.sub.x,C.sub.k becomes equal to the saved state from the previous cluster depth:

PV.sub.x,C.sub.j=PV.sub.x,C.sub.k [0439] where Cj denotes the cluster with only one label and Ck denotes the cluster that label x previously resided in. Without the frozen state strategy, poor models will reach desirable DA values at sufficient depths of clustering. The artificial depression of the W? value occurs because clusters that contain a single label evaluate to 0 (the label mean and cluster mean are the same). Whereas the frozen state strategy effectively remembers how well (or poorly) the label was clustered before it drops out.

[0440] Hyperparametertuning was employed for some of the descriptors. At least one W.sub.? representation exists for each unique combination of structure simplification and descriptor. However, some of the descriptors can be altered by tuning associated hyperparameters, resulting in more W.sub.? representations. The descriptors with hyperparameter tuning are the global instability index, radial distribution function, smooth overlap of atomic positions (SOAP), and mXRD. A grid search was done over the hyperparameters, for each descriptor, with parameters shown in Table 3.

TABLE-US-00006 TABLE 3 Hyper- Values attempted in Descriptor parameter Description grid search Global r_cut The distance, in angstroms, to search [1.0, 1.1, . . . , 5.9, 6.0] instability for neighbors when calculating bond index valences. Radial cutoff The distance, in angstroms, over which [1, 2, . . . , 29, 30] distribution the radial distribution function should function be calculated. bin_size The radial distance, in angstroms, for [0.01, 0.02, . . . , 0.09, each bin. 0.1, 0.2, . . . , 0.9, 1.0] Smooth rcut The radial cutoff for the local region in [1, 2, . . . , 29, 30] overlap of angstroms. atomic nmax The number of radial basis functions [2, 3, . . . , 8, 9] positions used. (SOAP) lmax The maximum degree of spherical [1, 2, . . . , 8, 9] harmonics used. average The averaging mode. [outer, inner] mXRD pattern_length The number of 2? values that will be [101, 201, . . . , 901, calculated between 0? and 90?. 1001]

[0441] Ultimately, the SOAP-CAN descriptor-simplification outperforms all other descriptor-simplifications when the averaging hyperparameter is set to outer. Setting the outer hyperparameter results in averaging over the power spectrum of different sites. Whereas the inner setting averages over the sites first, before summing up the magnetic quantum numbers. The other three hyperparameters (rcut, nmax, and Imax) are less consequential, with most combinations tested outperforming all other non-SOAP descriptors. To illustrate the point, three different SOAP-CAN outcomes are depicted in FIG. 4, plotted against the best-performing outcomes from density-CAN, mXRD-A40, orbital field matrix, and structure heterogeneity-A40. The three SOAP-CAN outcomes are those with the lowest W.sub.? mean for the depth of clustering ranges: 2-100, 101-200, and 201-300. The respective hyperparameters for the three SOAP-CAN descriptors are [rcut=2, nmax=4, Imax=2], [rcut=4, nmax=2, Imax=2], and [rcut=3, nmax=5, Imax=3].

Section V. W.SUB.Ea .Optimization

[0442] Each clustering outcome is also assessed by labeling with approximate activation energies for ion hopping. The activation energies are calculated using a bond valence site energy (BVSE) method developed by Adams and Rao.sup.331,332. The strategy approximates the E.sub.a as the sum of an attractive Morse-type potential term and a repulsive Coulombic interaction term. The Morse-type potential term represents mobile ion interactions with lattice anions. While the Coulombic interaction term represents mobile ion interactions with lattice cations. Relative to DFT-based methods, the BVSE method is a computationally lean approach that can be used to readily assess thousands of structures. However, the BVSE method tends to overestimate activation energies because it (1) does not allow for structural relaxation as the mobile ion moves and (2) does not consider repulsive interactions between mobile ions.sup.331,332. The BVSE method has been implemented by He et al. and is available for use through their python API.sup.333. Using the BVSE method, we label 6845 structures with activation energies (6845 is the number of structures successfully solved given a computing time cutoff of 20-minutes for each structure). Ward's minimum variance method applied to the activation energy labels (W.sub.Ea) is calculated in a similar manner to the W.sub.?:

[00006]$W_{Ea}=\underset{k=I}{\overset{n_c}{.Math.}}\underset{i?C_k}{.Math.}{\left[{\left(E_{a_{\mathrm{Reject}}BVSE}\right)}_i-{\left(\stackrel{?}{E_{a_{\mathrm{Reject}}BVSE}}\right)}_k\right]}^2$ [0443] where n.sub.c is the number of clusters in a set, C.sub.k is cluster k, and where (E.sub.a,BVSE).sub.k denotes the mean for all labels in cluster k. Each descriptor's W.sub.Ea results are shown in FIG. 5 for the first 50 clustering sets. For simplicity, only the best-performing simplification-descriptor combination is shown for each descriptor.

[0444] For E.sub.a labels, all descriptor-simplification pairings result in better semi-supervised ML performance than randomized clustering. The SOAP descriptor performs well relative to most, but five other descriptors outperform it: CAVD, orbital field matrix-CAN, density, mXRD-CAMN, and the packing efficiency descriptors. The favorable performance of CAVD is anticipated because the BVSE calculation directly uses the CAVD descriptor as a parameter. The favorable performance of the density and packing efficiency descriptors may be explained by their similarity to CAVD: the Voronoi decomposition to encode void space is dependent on the density and packing efficiency of the structure. Similarly, the orbital field matrix descriptor relies on calculation of Voronoi polyhedra to understand the coordination environment for each atom. A mXRD-CAMN descriptor-simplification performs well on the BVSE label set; however, the mXRD representation used by Toyota (mXRDA40) drops from to 14.sup.th best on the E.sub.a label set. The result may suggest that the mXRDA40 pairing does not generalize well. When comparing the top 10 descriptors for each label set, 6 descriptors are common to both approaches: SOAP, density, mXRD, structure heterogeneity, orbital field matrix, and bond fraction.

Section VI. Second-Order SOAP Descriptor

[0445] Semi-supervised ML models may be further improved by merging descriptors and clustering on the union representation. Second order descriptor unions are examined by combining the best-performing descriptors with all other descriptors. The two input descriptor vectors (d.sub.A and d.sub.B) were combined with a mixing ratio (?) to yield the union representation (d.sub.AB):

[00007]$d_{\mathrm{AB}}=d_A.Math.?d_B$

[0446] The ideal mixing ratio is unknown for each union and we find that incremental changes to the mixing ratio do not result in continuous changes to the W.sub.?. Thus, outcomes are manually screened for mixing ratios from 10.sup.?6 to 10.sup.6 (see supplemental informationsection VI). Most descriptor unions result in no improvement to the W.sub.?, across all mixing ratios. However, the W.sub.? for SOAP when mixing with the non-simplified sine Coulomb matrix descriptor (for ?=2.Math.10.sup.?6-4.Math.10.sup.?6) is lowered by 2-3%, with the exact percentage depending on the depth of clustering.

[0447] Almost no descriptor combinations are successful in reducing the W.sub.?. Excluding combinations that include the SOAP-CAN descriptor, no combinations outperform the 1.sup.st order SOAP-CAN representation. For combinations that include SOAP-CAN, some mixing ratios with the sine Coulomb matrix and the Ewald energy descriptors resulted in modest improvements in the W.sub.?. The best improvement is found when mixing SOAP-CAN with the sine Coulomb descriptor for ?=2.Math.10.sup.?6, 3.Math.10.sup.?6, and 4.Math.10.sup.?6. All three combinations result in the same improved curve, plotted below in FIG. 6.

[0448] The agglomerative dendrogram in the main text shows that the 2.sup.nd-order SOAP-CAN descriptor facilitates aggregation of high-conductivity labels. In the simplified 9-cluster representation, most of the high-conductivity (?.sub.RT>10.sup.?5 S cm.sup.?1) labels are contained within the 2.sup.nd mega cluster. The 2.sup.nd mega cluster accounts for only 15% of the input structure. By clustering further, increasingly dense representations are found. For example, at the 241.sup.st clustering depth, the 21 high-conductivity labels have been sorted into five subclusters (FIG. 7). Taken together, the five subclusters account for 52.5% of the high conductivity labels while containing only 2.2% of the input structures. We note that the control (random clustering) exhibits a Ward Variance 214% greater than the 2.sup.nd-order SOAP-CAN model at the 241.sup.st clustering depth. The difference in Ward Variance illustrates that the 2.sup.nd-order SOAP-CAN model is much better at identifying high-conductivity structures, relative to random selection.

Section VII. Climbing ImageNudged Elastic Band

[0449] Migration barriers for Li ion hopping are evaluated with the Climbing ImageNudged Elastic Band (CI-NEB) method as implemented in the QuantumESPRESSO PWheb software package.sup.334-337. Density-functional theory (DFT) calculations are performed using the Perdew-Burke-Emzerfof (PBE) generalized gradient approximation functional and projector-augmented wave (PAW) sets.sup.338,339. Convergence testing for the kinetic-energy cutoff of the plane-wave basis and the k-point sampling is performed for each structure to ensure an accuracy of 1 meV per atom. The lattice parameters and atomic positions of the as-retrieved structure are optimized. Supercells are created for each structure that are a minimum of 10 ? in each lattice direction to minimize interactions between periodic images of the mobile ion. To study the migration barrier in the dilute limit, a single Li vacancy is created in the boundary endpoint structures of each studied pathway. A uniform background charge is used to balance excess charge. Each boundary configuration is relaxed until the force on each atom is less than 3?10.sup.?4 eV/?. Images are created by linearly interpolating framework atomic positions between the initial and final boundary configurations. The initial pathway for the mobile ion is generated from the BVSE output minimum energy pathway to promote faster convergence of the NEB calculation. An NEB force convergence threshold of 0.05 eV/? is used. The calculation is first converged using the default NEB algorithm and then restarted with the Cl scheme to allow for the maximum energy of the pathway to be determined.

Section VIII. a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 Impedance

[0450] Electrochemical impedance data for the amorphized Si-substituted Li.sub.3BS.sub.3 (a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3) suggests the presence of two RC features. The VSP-300 potentiostat can supply a maximum sinusoidal frequency of 3 MHz, sufficient to resolve a partial semicircle in the Nyquist impedance plot (FIG. 17). Attempted fits to the partial semicircle reveal that it would not intersect the origin at higher frequencies, suggesting the presence of an additional RC feature. It is plausible that two RC features exist, describing the bulk and grain-boundary transport of Li.sup.+. A more conservative estimate of the conductivity (?.sub.tot) can be derived by extrapolating a linear of the Warburg tail to the x intercept. While the more conservative estimate is used in the main manuscript, we note here that the actual bulk conductivity is likely higher.

Section IX. Full List of Promising Structures

[0451] Excluding the labeled dataset, there are 50 compounds that are predicted to be stable and to exhibit a Li-hopping activation energy below 600 meV. Ten of the predicted compounds have already been experimentally examined and are hereafter excluded: Li.sub.2O, Li.sub.2S, LiCl, LiI, LiBr, Li.sub.6AsS.sub.5I, Li.sub.4Ti.sub.5O.sub.12, Li.sub.2InCl.sub.3, LiInI.sub.4, Li.sub.6NiCl.sub.8. Another nine are excluded because they are used in cathodes, anodes, or glassy electrolyte formulations: LiFeCl.sub.4, Li.sub.2CO.sub.3, Li.sub.2PtO.sub.3, Li.sub.2NiGe.sub.3O.sub.8, Li.sub.2CrO.sub.4, Li.sub.2SeO.sub.4, LiAlS, Li.sub.2Mn.sub.3NiO.sub.8, LiInSe.sub.2. The remaining 31 promising structures are discussed below and plotted by ascending activation energy in FIG. 18.

a. Stable Compounds

[0452] Each structure is examined in order of ascending activation energy in FIGS. 20A-20AE.

b. Quasi-Stable Compounds (E.sub.hull Below 15 meV)

[0453] Excluding the labeled dataset, there are 34 compounds that are predicted to be within 15 meV of the convex hull (E.sub.hull) and to exhibit a Li-hopping activation energy below 600 meV. Ten of the predicted compounds have already been experimentally examined and are hereafter excluded: Li.sub.3SbS.sub.4, Li.sub.6AsS.sub.5I, Li.sub.6PS.sub.5I, Li.sub.3ScCl.sub.6, Li.sub.2MnBr.sub.4, Li.sub.3N, LiTi.sub.2P.sub.3O.sub.12, Li.sub.10SiP.sub.2S.sub.12, Li.sub.2ZnCl.sub.4, Li.sub.3InO.sub.3. Another three are currently being excluded because they are used in cathodes: Li.sub.3NbS.sub.4, Li.sub.3CuS.sub.2, Li.sub.6VCl.sub.8. The remaining 21 promising structures are discussed below and plotted by ascending activation energy in FIG. 19.

[0454] See FIGS. 22A-22U.

c. Unknown-Stability Compounds (Sans Materials Project Entry)

[0455] There are 18 predictions that have no associated Material's Project entry. These structures lack stability data. Seven of the predicted compounds have already been experimentally examined and are hereafter excluded: Li.sub.2O, Li.sub.2S, Li.sub.7Y.sub.7Zr.sub.9S.sub.32, Li.sub.4SnSe.sub.4O.sub.13, Li.sub.2MnBr.sub.4, Li.sub.5AlS.sub.4, Li.sub.3Fe.sub.2P.sub.3O.sub.12. Another five are currently being excluded because they are used in cathodes: Li.sub.2Mn.sub.3NiO.sub.8, Li.sub.2Mn.sub.3CoO.sub.8, Li.sub.5Mn.sub.16O.sub.32, Li.sub.2Mn.sub.15AlO.sub.32, Li.sub.3V.sub.2P.sub.3O.sub.12. The remaining 6 promising structures are discussed below and plotted in order of ascending activation energy in FIG. 21.

[0456] See FIGS. 24A-24F.

Example 2: Experimental Validation of the Semi-Supervised Learning Model: Li.SUB.3.BS.SUB.3

[0457] From the ten most promising candidates, Li.sub.3BS.sub.3 was selected for synthesis and characterization. Li.sub.3BS.sub.3 stands out because it has been explored experimentally and computationally before. Experimentally, Vinatier et al. previously determined that Li.sub.3BS.sub.3 has a total DC conductivity of 2.5.Math.10.sup.?7 S cm.sup.?1 with an activation energy of 700 meV.sup.62. The DC measurement was not included in our label set because DC measurements cannot differentiate between ionic and electronic conductivity, so they were categorically discounted from the label set (see supplemental information I for more details on label selection). Although the conductivity and activation energy reported by Vinatier et al. are underwhelming, there are promising theoretical reports. Density functional theory molecular dynamics (DFT-MD) simulations from Sendek et al..sup.63 suggest that Li.sub.3BS.sub.3 should have a room temperature conductivity between 3.1.Math.10.sup.?6 and 9.7.Math.10.sup.?3 S cm.sup.?1. Our NEB-calculated activation energy for Li.sub.3BS.sub.3 is 260 meV, corroborating a previous NEB result from Bianchini et al..sup.64. Additionally, Li.sub.3BS.sub.3 is practically attractive because: (1) Li.sub.3BS.sub.3 contains no redox-active metals, (2) band edge calculations have suggested stability against metallic Li.sup.65, (3) DFT-MD calculations have suggested a kinetic barrier for decomposition against metallic Li.sup.63, and (4) the synthesis is reported.sup.66. It is simpler to avoid redox active metals in the SSE as they may be reduced and oxidized at electrode interfaces. However, we note that Li.sub.0.5La.sub.0.5TiO.sub.3 is a widely studied SSE that contains redox active Ti.sup.67,68 so the compounds we report here that contain Mn, V, and Cu should not be categorically discounted. It is important to note that while studying Li.sub.3BS.sub.3 as a candidate Li-ion conductor for model validation, Kimura et al. reported that a so-called Li.sub.3BS.sub.3 glass exhibits an ionic conductivity of 3.6.Math.10.sup.?4 S/cm.sup.?1 at 25? C..sup.69.

[0458] Li.sub.3BS.sub.3 is prepared using solid-state synthesis from Li.sub.2S, B, and S precursors. The diffraction and quantitative Rietveld refinement are shown in FIG. 26A, suggesting a phase pure material. Electrochemical impedance spectroscopy (EIS) is employed at various temperatures and the resultant conductivity is plotted according to the Arrhenius-like relationship (FIG. 26B):

[00008]$?=\frac{{?}_0}{T}{e}^{-\frac{E_a}{k_{B}T}}$ [0459] where T is the temperature, k.sub.B is the Boltzmann's constant, ?.sub.0 is the conductivity prefactor and E.sub.a is the activation energy for ionic conductivity. The room temperature ionic conductivity (?.sub.25? C.) is 7.16(?0.21).Math.10.sup.?7 S cm.sup.?1 and the activation energy is 400?47 meV. The low conductivity and high activation energy may be due to lack of charge-carrying defects in the Li.sub.3BS.sub.3 lattice.sup.70,71. Although a sufficient carrier concentration is necessary for facile ionic conduction in most materials, the descriptors in the semi-supervised model do not explicitly encode for charge-carrying defects. In the label set, conductivity is likely influenced by the defect concentration but defects are typically not reported. Still, the semi-supervised model may infer a structure's capacity to support conductive defects via correlation with the descriptors.
Li.sub.3BS.sub.3 Synthesis: [0460] Li.sub.3BS.sub.3 is synthesized by reaction of Li.sub.2S (Alfa Aesar, 99.9%), S.sub.8 (Acros Organics, >99.5%), and elemental B (SkySpring Nanomaterials, Inc. 99.99%). The reactants are first mixed stoichiometrically (300 rpm for 1 h) using a planetary ball mill (MSE PMV1-0.4L) in 50 mL ZrO.sub.2 jars with ZrO.sub.2 balls. Two grams of reactants are always combined with 2 large balls (10 mm diameter), 34 medium balls (5 mm diameter), and 8 grams of small balls (3 mm diameter). Loading of ball mill jars occurs in an Ar-filled glovebox (Mbraun) and the jars are sealed before removal. After the 1 h of milling, the precursor mixture is pumped back into the glovebox and 330-340 mg of the powder is loaded into carbon coated vitreous silica ampoules (10 mm ID?12 mm OD). The ampoules are evacuated (<10 mtorr) prior to sealing. Pure Li.sub.3BS.sub.3 is obtained via a four-step heating protocol in a Lindberg/Blue furnace: (1) ramp to 500? C. at 5? C. min.sup.?1, (2) hold at 500? C. for 12 h, (3) ramp to 800? C. at 5? C. min.sup.?1, and (4) hold at 800? C. for 6 h. The hot melt is then quenched from 800? C. into room temperature water. Recovered ingots are typically covered in a C shell. The C shell is either sanded off or the ingot is ground into smaller pieces and the C is manually removed.

Example 3: Defect Engineering of Lithium Solid State Electrolyte Material

[0461] To test the hypothesis, we use two strategies to engineer vacancies: aliovalent substitution and amorphization via extended ball milling. Aliovalent substitution has been shown to improve conductivity in Li-argyrodites, -sulfides, and -garnets by introducing vacancies.sup.70,71. Similarly, amorphization can introduce defects and vacancies that enable Li.sup.+ hopping.sup.69,71-73.

[0462] Aliovalent substitution of Li.sub.3BS.sub.3 is achieved by substituting Si for B. The XRD patterns and quantitative Rietveld refinements of Li.sub.2.975B.sub.0.975Si.sub.0.025S.sub.3 and Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 are shown in FIG. 26A. The lattice parameters from the refinements are plotted vs. stoichiometry with the Li.sub.3BS.sub.3 end-member in FIG. 26E. The linear trend shows that the materials obey Vegard's law and confirms that Si incorporates into the lattice as a solid-solution. Substitution to 7.5% Si continues the Vegard trend but unidentified impurities are present. With 5% Si substitution, the ionic conductivity is improved to 1.82(?0.21).Math.10.sup.?5 S cm.sup.?1 and the activation energy is decreased to 333?47 meV (FIG. 26D). All error bars reported for electrochemical measurements represent the standard deviation of three replicate cells. Kimura et al. demonstrated that extended ball milling of Li.sub.3BS.sub.3 causes amorphization and improves ionic conductivity, likely due to introduction of defects.sup.62,69. Extended ball milling is attempted on the 5%-substituted Li.sub.3BS.sub.3 to assess whether both defect engineering strategies are compatible. Planetary ball milling of the 5%-substituted Li.sub.3BS.sub.3 for 100 h achieves amorphization (a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3), as verified by the lack of distinct peaks in the XRD pattern shown in FIG. 26A.

[0463] We find that amorphization significantly improves Li-ion conductivity. EIS measurements of a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 are shown in FIG. 26E. A high-frequency semicircle is partially resolved which may represent grain boundary or bulk ionic transport. A Warburg tail is evident at lower frequencies, indicating that electronic charge transfer is blocked. Although multiple high-frequency semicircles may exist (see Example 1B: section VII), a conservative estimate of the ionic conductivity is determined by linear fit of the Warburg tail and extrapolation to the x-intercept. The ?.sub.25? C. of a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 is 1.07(?0.08).Math.10.sup.?3 S cm.sup.?1 with an activation energy of 345?2 meV (FIG. 26D). The electronic conductivity as measured by DC polarization is less than 4.Math.10.sup.?10 S cm.sup.?1.

[0464] To determine if the local structure in the crystalline material is maintained after amorphization, we turn to .sup.7Li and .sup.11B NMR. If the local structure is not altered by amorphization, then it is likely that the ion diffusion pathways are similar. Comparing the ion diffusion pathways is important because the machine learning points to the structure of the crystalline Li.sub.3BS.sub.3 phase. The .sup.7Li NMR spectra of Li.sub.3BS.sub.3, Li.sub.2.95B.sub.0.95Si.sub.0.5S.sub.3, and a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 are shown in FIG. 26D. All materials show a single resonance at the same chemical shift, suggesting the Li local environment remains unchanged. The resonance width narrows significantly in the amorphous material due to the higher mobility. The .sup.11B NMR measurements are shown in FIG. 26G. The .sup.11B NMR for Li.sub.3BS.sub.3 and Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 show a single, quadrupolar environment that can be assigned to the [BS.sub.3].sup.3- moieties.sup.69,74. The signal from the a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 shows a similar signal to that of the crystalline phases but the shape changes, similarly to the previous measurement for amorphous Li.sub.3BS.sub.3.sup.69. Li.sub.3BS.sub.3, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, and a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 all exhibit a major peak at ?60 ppm and a relatively minor peak ?0 ppm. The major peak is assigned to trigonal planar [BS.sub.3].sup.3- while the minor peak likely indicates a minor impurity with tetrahedrally coordinated B.sup.75-77. The change in shape of the 11B spectrum upon amorphization is likely due an averaging of the quadrupolar couplings due to the fast Li dynamics. Thus, Li.sub.3BS.sub.3 and a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 have similar local structures and we can attribute the faster Li dynamics to the introduction of charge-carrying defects.

[0465] Although investigation of interfacial stability is beyond the scope of the model, we note that the Si-substituted Li.sub.3BS.sub.3 is a promising candidate for future investigations into interfacial stability. Work by Park et al. demonstrated that the (010) facet for Li.sub.3BS.sub.3 has a conduction band minimum 0.5 eV above the Li/Li.sup.+ couple.sup.65. Since decomposition of Li.sub.3BS.sub.3 is likely to be mediated by electron injection from Li, their results suggest that thermodynamic stability can be engineered via orientation. From a kinetic perspective, high-temperature DFT-MD simulations show no mobility for B and S, suggesting large kinetic diffusion barriers.sup.63. Since decomposition of Li.sub.3BS.sub.3 would entail the diffusion of these species, the reaction may be sluggish or wholly precluded. Interfacial stability has been previously demonstrated for a glassy electrode in the LiBSSiO phase space.sup.78. The result may indicate that stability can be engineered into Si-substituted Li.sub.3BS.sub.3 by partial isovalent substitution of 0 for S. Finally, recently-synthesized LiBSX (X=Cl, Br, I) quaternaries have exhibited promising conductivities.sup.79. With similar elemental composition, the Si-substituted Li.sub.3BS.sub.3 may be a good candidate for a multi-electrolyte architecture with the halide-containing quaternaries.sup.13.

[0466] In addition to our experimental model validation, another of the predicted materials, KLi.sub.6TaO.sub.6, was recently synthesized with aliovalent Sn-substitution by Suzuki et al.sup.80. With a reported ionic conductivity near 10.sup.?5 S cm.sup.?1, KLi.sub.6TaO.sub.6 is better than 70% of the SSEs in the semi-supervised labels. Further improvement may be possible via extended amorphization to introduce structural defects, as is observed for Li.sub.3BS.sub.3.

Substituted Li.sub.3BS.sub.3:

[0467] Aliovalent substitution is accomplished by adding elemental Si (Acros, 99+%) into the precursor mixture prior to the 1 h mix. Si-substitution stoichiometry assumed that each Si atom replaces one Li and B: Li.sub.3?xB.sub.1?xSi.sub.xS.sub.3. Aside from the addition of Si, all steps are the same as for the synthesis of Li.sub.3BS.sub.3. Amorphization is accomplished via extended planetary ball milling in Ar of the 5% Si-substituted Li.sub.3BS.sub.3 (Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3). Approximately 1 g of Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 is combined in a ZrO.sub.2 ball mill jar with 3 large balls (10 mm diameter), 51 medium balls (5 mm diameter), and 12 g of small balls (3 mm diameter). The powder is ground in a planetary ball mill (MSE PMV1-0.4L), under Ar atmosphere, for 100 h.

Material Characterization:

[0468] Li.sub.3BS.sub.3 materials are characterized using powder X-ray diffraction (XRD) and electrochemical impedance spectroscopy (EIS). XRD patterns are attained on a Rigaku Smartlab by scanning from 10? to 70? 28 at 2 degrees per minute. The Smartlab employs a Cu-K? source with a 20 kV accelerating voltage. For EIS measurements, 50-100 mg of powder is first hot-pressed (100? C., 5 min) into a ? diameter pellet. The pellet faces are polished using diamond lapping powder (Allied High Tech Products Inc.) in sequentially finer grits: 60, 30, 6, 0.5, and 0.1 micron. Au contacts are sputtered (90 s at 40 mA) onto the polished surfaces using a 108 Auto Sputter Coater (Cressington). Pellets are then assembled into a Swagelok ? cell with stainless steel current collectors. After applying pressure with a hand vise (?100 MPa), EIS data is collected on a VSP-300 with a Biologic low-current channel. All EIS data is collected to an upper frequency of 3 MHz. The lower frequency is case dependent, with a frequency cutoff selected such that the Warburg polarization feature is visible. .sup.7Li and .sup.11B MAS MAS NMR spectra were acquired using a Bruker DSX-500 spectrometer with a 4 mm ZrO.sub.2 rotor. The operating frequencies for .sup.7Li and .sup.11B are 190.5 and 160.5 MHz, respectively. The .sup.7Li and .sup.11B spectra were referenced to a 1 M LiCl aq. solution and BF.sub.3-OEt.sub.2, respectively. A spinning speed of 12 kHz was used, and the spectra were gathered after applying a single 0.5 ?s to 15? pulse for both .sup.7Li and .sup.11B.

Further Discussion for Examples 1-3

[0469] Identification of functional materials is critical for improving technologies. Here, we show the utility of using semi-supervised learning as a method for guiding next-generation materials discovery in emerging fields. The method's focus on identifying the relationships between descriptors, prior to labeling, enables understanding of compositional spaces where most inputs are unlabeled. We demonstrate how semi-supervised learning can be used to identify descriptors correlated with superionic conductivity in Li SSEs. By analyzing all Li-containing structures from the ICSD and MP database, we identify 212 materials that show promise as SSEs. All 212 structures exhibit a BVSE-predicted E.sub.a below 0.6 eV.

[0470] The results illustrate why careful screening of descriptors is useful when identifying new materials. While chemical intuition can be useful for descriptor selection, chemical intuition is often biased to favor previously investigated compositional spaces. For material discovery in emerging fields, use of handpicked descriptors may miss complex phenomena that more generally describe the dataset. Descriptor screening reveals which material properties are correlated to a property of interest to help enhance chemical intuition. In the case of Li SSEs, spatial descriptors excel over compositional, bonding, and electronic descriptors: the Smooth Overlap of Atomic Positions (SOAP), modified X-ray diffraction (mXRD), and general density descriptors are within the top four models. For spatial descriptors, simplification of the input structure tends to improve clustering outcomes. Removing the mobile ions from the structure and simplifying the remaining atoms, i.e. the CAN simplification, is most effective. Thus, the placement of framework atoms, but not their precise identity, is most correlated with ionic conductivity. Specifying the mobile ion positions hurts the model performance, suggesting a low correlation of mobile ion positions with ionic conductivity.

[0471] Predictions from the semi-supervised method are promising starting points for experimental identification of new superionic conductors but defects must be considered. The proposed materials are diverse, with the top thirty including halides, sulfides, tellurides, nitrides, oxides, and oxyhalides (see Example 1B: section IX). As a structure that falls outside of the eight routinely studied SSE classes, we demonstrate experimental characterization of Li.sub.3BS.sub.3 to confirm the utility of the approach. However, pure Li.sub.3BS.sub.3 exhibits poor ionic conductivity. Defects must be introduced into the material to achieve a superionic conductivity above 10.sup.?3 S cm.sup.?1, a value that surpasses most reported SSEs. We note that the defects are introduced while maintaining the local structure of the crystalline material and thus the ionic conduction pathways are likely similar. The need to introduce defects highlights the paramount importance that defects play when measuring real materials. Many of the highest performing SSEs contain charge-carrying defects that are not explicitly encoded in their structure files. It is likely that some of the descriptors indirectly encode information about defects. By using experimental conductivity values as the evaluation metric, we may be prioritizing descriptors that encode information about a structures ability to support charge-carrying defects. Although Li.sub.3BS.sub.3 is a poor conductor, it is clearly able to support charge-carrying defects. The large conductivity difference between pristine Li.sub.3BS.sub.3 and a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 highlights the importance of these defects. To improve predictive models and enhance chemical intuition, descriptors that explicitly encode defects are needed.

[0472] Now developed, the semi-supervised learning approach can serve as a template for material discovery beyond Li SSEs. The code is thoroughly documented following pythonic coding standards and made freely available on Github. Although the present effort focuses on Li SSEs, the approach is applicable to any material discovery space where labels are sparse. Discovery of new Li cathodes could be accomplished by using Li diffusivity, cathode capacity, and metal redox couple voltages as labels. Discovery of divalent SSEs (e.g. Mg.sup.2+, Ca.sup.2+, Zn.sup.2+) could foreseeably be accomplished in a similar manner. The semi-supervised learning strategy may accelerate identification of fast ionic conductors for ion exchange membranes, solid oxide fuel cells, and various sensor applications.

Example 4: Optional Aspects with Respect to Substitution for B in Lithium Thioborate

[0473] In some aspects, the first dopant Q in FX1 (Li.sub.3?z[B+Q].sub.1[S+G].sub.3) optionally comprises one or more transition metal elements. On the other hand, in some aspects, the first dopant Q in FX1 is free of transitional metal elements due to the propensity of transition metal elements to participate in redox reactions occurring in a solid state battery. Selection of the first dopant element (the one or more dopant element corresponding to first dopant Q) is generally dependent on application-specific particular chemistry, redox reactions, voltages, and other conditions.

Example 5: Particularly Useful Aspects

[0474] In an aspect, a particularly useful material disclosed herein has a composition characterized by formula FX15A: Li.sub.3?xB.sub.1?xS.sub.xS.sub.3 (FX15A); wherein x is greater than 0 and less than or approximately equal to 0.05. For example, in an aspect, a furthermore particularly useful material disclosed herein has a composition characterized by formula FX15B: Li.sub.aB.sub.bSi.sub.xS.sub.c (FX15B); wherein a is approximately 2.95, b is approximately 0.95, x is approximately 0.05, and c is approximately 3.0. For example, in an aspect, a yet furthermore particularly useful material disclosed herein has a composition characterized by formula FX15C: Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 (FX15C). It is found that the compositions of FX15A, FX15B, and FX15C may correspond to an optimum or near-optimum doped composition of lithium thioborate with respect to ionic conductivity, optionally with respect to other additional features, where the undoped composition and low-doped composition (e.g., x being less than 0.025) have lower ionic conductivity and higher dopant amounts (e.g., x being greater than or equal to 0.075) cause formation of unfavorable impurities and/or other unfavorable features (e.g., too much disruption of crystallographic structure with respect to that of Li.sub.3BS.sub.3). It is found that compositions of FX15A, FX15B, and FX15C have high ionic conductivity and low electronic conductivity, especially if the material is amorphized. For example, as also discussed in Examples 1A-3, whereas a room temperature (e.g., 25? C.) ionic conductivity of undoped Li.sub.3BS.sub.3 without substitution may be approximately 7.2.Math.10.sup.?7 S/cm substitution/doping of the composition thereby making Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 (FX15C) may result in an increase of ionic conductivity (relative to that of the undoped Li.sub.3BS.sub.3) by a factor of approximately 25 such as to an ionic conductivity of approximately 1.82(?0.21).Math.10.sup.?5 S cm.sup.?1 at room temperature (e.g., 25? C.). Amorphization of the composition Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 (FX15C) may further increase the ionic conductivity (relative to that of the undoped Li.sub.3BS.sub.3) by a factor of at least 1375 such as to an ionic conductivity of approximately 1.07(?0.08).Math.10.sup.?3 S cm.sup.?1 at room temperature (e.g., 25? C.) or even about 3.Math.10.sup.?3 S cm.sup.?1 according to some aspects. In contrast, the electronic conductivity of these doped compositions of FX15A, FX15B, and FX15C have low electronic conductivity, such as, for example, in aspects, less than or equal to about 4.Math.10.sup.?10 S/cm as measured by DC polarization at room temperature (e.g., 25? C.).

Example 6: Superionic Conductor Li.SUB.3.BS.SUB.3 .Enabled by Aliovalent Cl and Si Substitution

Results and Discussion

Structural Characterization

[0475] Samples of substituted Li.sub.3BS.sub.3 are prepared from stoichiometric mixtures of Li.sub.2S, B, S, Si, and LiCl. Aliquots of a mixture are sealed under vacuum in a carbon-coated vitreous silica tube, before a two-step heating process at 500? C. then 800? C., followed by quenching in room-temperature water. The resultant pellet of material is separated from the surrounding dark grey shell, then ground into a powder.

[0476] Powder X-ray diffraction (PXRD) is used to verify the purity of the material. Diffraction patterns of Cl-substituted Li.sub.3BS.sub.3 shown in FIG. 27A reveal synthesis of crystalline Li.sub.3?xBS.sub.3?xCl.sub.x up until a Cl content of x=0.2. For compositions with x=0.3 and x=0.4, a broadened and flattened diffraction pattern with crystalline LiCl impurity peaks is observed, indicative of the Li.sub.3BS.sub.3 phase becoming amorphous. This is consistent with the synthesized material changing from an opaque off-white color to a transparent red-pink.

[0477] Raman spectroscopy is used to confirm local structure within the material. As shown in FIG. 27B, spectra obtained from substituted Li.sub.3BS.sub.3 samples are compared with the Raman spectrum of Li.sub.3BS.sub.3 calculated using Density Functional Theory (DFT). A strong peak from symmetric [BS.sub.3] unit stretching is observed in both experimental and calculated spectra, with a notable lack of [BS.sub.4] impurity stretches shown to appear around 495 cm.sup.?1..sup.1 The amorphous compositions x=0.3 and x=0.4 also show a broad low-wavenumber packet instead of 6 discrete stretches, as well as a redshifted and broadened [BS.sub.3] stretching peak. These spectral differences are consistent with the greater variance and net elongation of bond lengths typical in an amorphous material.

[0478] PXRD patterns of Li.sub.3BS.sub.3 co-substituted with Si and Cl, shown in FIG. 28, reveal phase-pure synthesis of Li.sub.2.9B.sub.0.95Si.sub.0.05S.sub.2.95Cl.sub.0.05 and Li.sub.2.85B.sub.0.95Si.sub.0.05S.sub.2.9Cl.sub.0.1. The presence of a slight background around 26? to 33? 2? suggests the formation of some amorphous fraction of these samples. Compositions with less Li content yield a broad diffraction background indicative of an amorphous material. Similar to the Cl-substituted materials, these changes in diffraction patterns are consistent from the material appearing opaque and off-white to transparent and red-pink.

Electrochemical Impedance Spectroscopy

[0479] Electrochemical impedance spectroscopy (EIS) is used characterize the ionic conductivity of the prepared Li.sub.3?xBS.sub.3?xCl.sub.x compounds at various temperatures. The measured conductivity follows an Arrhenius-like relationship:

[00009]$\begin{array}{cc}?=\frac{{?}_0}{T}{e}^{-\frac{E_a}{{?}_{B}T}}& \left(1\right)\end{array}$ [0480] where ? is the conductivity, ?.sub.0 is the pre-exponential factor, T is the absolute temperature, E.sub.? is the activation energy, and a is the Boltzmann constant. FIG. 29A displays the plot of In ?T versus 1000/T for the Li.sub.3?xBS.sub.3?xCl.sub.x compounds. In this plot, the slope and y-intercept are proportional to the activation energy and pre-exponential factor, respectively, as described by equation (1). The room-temperature ionic conductivity increases significantly with increasing Cl content and Li vacancy concentration in Li.sub.3?xBS.sub.3?xCl.sub.x, as shown in FIG. 29B. This trend does not align with the activation energy trend, suggesting that the observed increase in conductivity is more likely dominated by the increase in available charge-carrying defects, which are included in the pre-exponential factor in equation (1).

[0481] Substituting Si for B in Li.sub.3?yB.sub.1?ySi.sub.yS.sub.3 results in a significant increase in ionic conductivity due to the introduction of vacancy defects in the structure..sup.2 To examine this defect engineering strategy, the ionic conductivity of co-substituted compounds Li.sub.3?yB.sub.1-ySi.sub.yS.sub.3?xCl.sub.x was investigated. For the same designed Li concentration of x=0.1 in Li.sub.3?xBS.sub.3?xCl.sub.x and x=y=0.05 in Li.sub.3x?yB.sub.1?ySi.sub.yS.sub.3?xCl.sub.x, the co-substituted compound exhibited a significantly higher ionic conductivity of 1.5?10.sup.?4 S cm.sup.?1 compared to 7.4?10.sup.?6 S cm.sup.?1. This is the highest conductivity observed for a compound with the crystalline structure of Li.sub.3BS.sub.3. Additionally, the activation energy is reduced from 414 meV for Li.sub.2.9BS.sub.2.9Cl.sub.0.1 to 356 meV for Li.sub.2.9B.sub.0.95Si.sub.0.05S.sub.2.95Cl.sub.0.05, suggesting that the co-substitution may also provide a more favorable pathway for ion migration. The conductivity further increased for compositions resulting in an amorphous structure but remained unchanged for further reductions in Li concentration after the amorphous transition, as shown in FIG. 30.

Materials and Methods

Material Preparation: Synthesis

[0482] All materials and samples are prepared in an Ar-filled glovebox with O.sub.2 and H.sub.2O levels under 1 ppm. To prepare samples of substituted Li.sub.3BS.sub.3, a precursor mix is made with stoichiometric amounts of Li.sub.2S (Thermo Scientific, 99.9%), B (SkySpring Nanomaterials, 99.99%), S (Acros Organics, 99.5%), Si (Acros Organics, 99%), and LiCl (Sigma-Aldrich, 99%) measured to a total sum of 2 g. These powders are added to a 50 mL zirconia ball mill jar containing 2 large (10 mm diameter), 34 medium (5 mm diameter), and 8 g of small (3 mm diameter) zirconia spheres. The jar then is mixed in a planetary ball mill (MSE PMV1-0.4L) at 300 rotations per minute for two intervals (each containing 15 minutes of counter clockwise rotation followed by 15 minutes of clockwise rotation), with an intermediate 15-minute rest. For each synthesis, 333 mg of precursor mix is loaded into a carbon-coated vitreous silica tube inside the glovebox and sealed under vacuum with an oxymethane torch. The resulting ampule is heated to 500? C. at 5? C. min.sup.?1, dwelled for 12 hours, heated to 500? C. at 5? C. min.sup.?1, dwelled for 6 hours, then subsequently quenched into room-temperature water. The ampule is opened in the glovebox, yielding either an opaque off-white pellet (for predominantly crystalline samples) or a transparent red-pink pellet (for predominantly amorphous samples), covered with a dark grey shell. The pellets are crushed, and the internal sample is separated from the dark gray shell. The separated sample is then ground for 5 minutes using an alumina mortar and pestle.

Material Characterization: X-Ray Powder Diffraction

[0483] PXRD patterns of powder samples are obtained using a Rigaku Smartlab Diffractometer with a Cu K.sub.? radiation source. Scans are conducted from 10? to 70? 26, with a 0.03? step size and 5? min.sup.?1 scan rate. Powder samples are loaded into Rigaku airfree sample holders in an Ar-filled glovebox to minimize air exposure. Rietveld refinement was performed using GSAS-II software..sup.3

Material Characterization: Raman Spectroscopy

[0484] Raman spectroscopy is conducted using an XplorRA PLUS Raman Spectrometer (Horiba Instruments). Samples are prepared by placing approximately 2 mg of sample on a glass microscope slide in an Ar glovebox atmosphere. The sample is taped down with Kapton tape to preserve an airfree sample environment for spectroscopy measurements. A 532 nm wavelength laser is used at 10% power, with a 50 ?m slit and a 2400 grooves mm.sup.?1 grating, to obtain a spectrum averaged over 100 1 s acquisitions. The Raman spectrum for Li.sub.3BS.sub.3 was calculated using the Quantum ESPRESSO software package..sup.4,5 The local density approximation (LDA) exchange-correlation functional was used with norm-conserving pseudopotentials. Converged kinetic energy and charge density cutoffs of 120 Ry and 480 Ry, respectively, were employed, along with a Monkhorst-Pack grid of 3?3?3 k-points for Brillouin zone sampling. Atomic positions and lattice parameters were optimized using the Broyden-Fletcher-Goldfarb-Shanno (BFGS) algorithm, with energy and force convergence thresholds of 1?10.sup.?6 a.u. and 1?10.sup.?5 a.u., respectively. Phonon frequencies were calculated using density functional perturbation theory (DFPT). Raman tensors were then obtained using the matdyn.x and dynmat.x utilities provided by Quantum ESPRESSO. The phonon modes were computed at the Gamma point, and the resulting Raman active modes and their intensities were extracted and plotted to generate the Raman spectrum.

Material Characterization: Electrochemical Impedance Spectroscopy

[0485] EIS is conducted using a BioLogic VMP potentiostat. To assemble samples for measurement, approximately 60 mg of active material is loaded into a hot press (6 mm diameter) and pressed under 2 tons of pressure at 100? C. for 5 minutes. Each circular face of the pellet is sputtered using a gold target for 60 seconds under 40 mA sputtering current. The pellet is loaded into a Teflon Swagelok cell to connect to the VSP potentiostat, with the sputtered faces in contact with stainless steel plungers. The Swagelok is held under hand-tight pressure in a vice, with temperature being controlled by an oven during measurements. EIS measurements is performed with an applied sinus amplitude of 25 mV and an upper frequency limit of 3 MHz. The lower frequency limit is adjusted until a blocking feature is observed.

REFERENCES ASSOCIATED WITH EXAMPLE 6

[0486] (1) Menetrier, M.; Hojjaji, A.; Levasseur, A.; Couzi, M.; Rao, K. Structural hypotheses and Raman spectroscopy investigations of glasses belonging to the B.sup.? 2S.sup.? 3-Li.sup.? 2SLiI system. Phys. Chem. Glasses 1992, 33, 222-227. [0487] (2) Laskowski, F. A.; McHaffie, D. B.; See, K. A. Identification of potential solid-state Li-ion conductors with semi-supervised learning. Energy & Environmental Science 2023, 16, 1264-1276. [0488] (3) Toby, B. H.; Von Dreele, R. B. GSAS-II: the genesis of a modem open-source all purpose crystallography software package. Journal of Applied Crystallography 2013, 46, 544-549. [0489] (4) Giannozzi, P. et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter 2009, 21, 395502. [0490] (5) Giannozzi, P. et al. Advanced capabilities for materials modelling with QUANTUM ESPRESSO. Journal of Physics: Condensed Matter 2017, 29, 465901.

Example 7

[0491] The Li-ion all-solid-state battery (ASSB) is a promising template for next-generation energy storage. To commercialize Li-ion ASSBs, a suitable solid-state electrolyte is required. A solid-state electrolyte must exhibit a wide electrochemical stability window and ionic conductivity near that of traditional liquid electrolytes. Three compounds with near-liquid-electrolyte conductivity (?10.sup.?2 S cm.sup.?1) have been discovered: Li.sub.10GeP.sub.2S.sub.12 (LGPS), Li.sub.6PS.sub.5Br argyrodite, and a Li.sub.7P.sub.3S.sub.11 glass ceramic. All three discovered electrolytes exhibit electrochemical instability against the Li anode, limiting application in commercial products. Li.sub.3BS.sub.3 has been predicted to have a wide electrochemical stability window, sufficient for resisting electron injection from the Li anode..sup.1 However, the ionic conductivity of pure Li.sub.3BS.sub.3 is prohibitively low (10.sup.?7-10.sup.?6 S cm.sup.?1).

[0492] Herein we present methods and compositions to significantly enhance the ionic conductivity of Li.sub.3BS.sub.3 through aliovalent substitution and subsequent amorphization. By substituting up to 5% (e.g., greater than 0 and less than 5%, greater than 0.5% and less than 5%, greater than 1% and less than 5%) of the B sites with Si or S sites with Cl, Li.sub.3?xB.sub.1?xS.sub.xS.sub.3 and Li.sub.3?yBS.sub.3?yCl.sub.y achieve ionic conductivities of 10.sup.?5 S cm.sup.?1 at room temperature. When the Si-substituted product is amorphized, through continuous ball milling, the ionic conductivity is further enhanced to above 10.sup.?3 S cm.sup.?1 at room temperature.

Improvements Over Existing Methods, Devices, or Materials:

[0493] Pure Li.sub.3BS.sub.3 has been previously characterized. The pure structure exhibits an ionic conductivity in the range of 10.sup.?7-10.sup.?6 S cm.sup.?1. Recent work by Kimura et al. has shown that the ionic conductivity of pure Li.sub.3BS.sub.3 can be enhanced via extended ball milling to near 10.sup.?4 S cm.sup.?1..sup.2 The present methods and compositions significantly improve on both results. Aliovalent substitution of the Li.sub.3BS.sub.3 structure is thought to introduce vacancies which can act as charge carrying defects. Aliovalent substitution for 5% of the B results in Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 which exhibits a room temperature ionic conductivity of 1.82.Math.10.sup.?5 S cm.sup.?1. Substitution of Cl for S to obtain Li.sub.2.9B.sub.0.9S.sub.2.9Cl.sub.0.1 also increases the conductivity to 10.sup.?5 S cm.sup.?1. Extended amorphization of the Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 further improves the ionic conductivity to between 1.Math.10.sup.?3-3.Math.10.sup.?3 S cm.sup.?1. Thus, through aliovalent substitution and amorphization, the ionic conductivity of Li.sub.3BS.sub.3 is improved, for example, to near that of conventional liquid electrolytes.

[0494] The amorphous Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 (a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3) offers many unique advantages over most solid-state electrolyte candidates. The synthesis occurs at a relatively low temperature (?800? C.) and pelletization can occur at room temperature. Unlike most oxide candidates, the a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 exhibits superb inter-grain conductivity without the need for a high-temperature grain-boundary sintering step. The precursor materials are also relatively low cost. For example, in comparing to LGPS, the a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 swaps Ge (?$2400/kg) and P (?$5/kg) for B (?200/kg) and Si ($1/kg). Finally, all four constituent elements have a low atomic mass, which is conducive to making ASSBs with high gravimetric capacity.

Alternative Embodiments, Variations, or Applications

[0495] The present methods and compositions may also be useful in a variety of embodiments beyond solid-state electrolytes. Li.sub.2.95B.sub.0.9Si.sub.0.05S.sub.3 may be employed as an artificial interphase on the Li anode surface. In such a capacity, the Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 would facilitate ionic conduction while preventing the Li anode from reducing an adjacent SSE.

[0496] The methods and compositions may also be employed as an additive for electrodes or even for glass electrolyte mixtures. In both cases, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 could foreseeably serve either or both of the following roles: (1) improving electrochemical stability of the electrode/electrolyte and (2) improving ionic conductivity of the electrode/electrolyte.

[0497] As is shown in FIG. 31, the introduction of defects in Li.sub.3BS.sub.3 increases ionic conductivity by approximately four orders of magnitude. FIG. 31 shows Arrhenius plots, room-temperature ionic conductivity values and activation energies for a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, and Li.sub.3BS.sub.3.

[0498] As is shown in FIGS. 32A, 32B and 33, co-substitution of Si and Cl leads to significant higher ionic conductivity than that for same designed Li vacancy concentration with only Cl substitution. FIG. 32A shows Arrhenius plots and room-temperature ionic conductivity values for Li.sub.2.9B.sub.0.95Si.sub.0.05S.sub.2.95Cl.sub.0.05, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.95BS.sub.2.95Cl.sub.0.05, and Li.sub.3BS.sub.3. FIG. 32B shows Arrhenius plots and room-temperature ionic conductivity values for Li.sub.3BS.sub.3, Li.sub.2.95 B.sub.0.95Si.sub.0.05 S.sub.3, a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.95BS.sub.2.95Cl.sub.0.05 and Li.sub.2.9BS.sub.2.9Cl.sub.0.1. FIG. 33 shows room-temperature ionic conductivity values and activation energies for Li.sub.3BS.sub.3, Li.sub.2.95BS.sub.2.95Cl.sub.0.05, Li.sub.2.9BS.sub.2.9Cl.sub.0.1, Li.sub.2.8BS.sub.2.8Cl.sub.0.2, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, and Li.sub.2.9B.sub.0.95Si.sub.0.05S.sub.2.95Cl.sub.0.05.

[0499] Shown in FIG. 34 is a comparison of the room-temperature ionic conductivity values for Li.sub.3BS.sub.3, Li.sub.2.95BS.sub.2.95Cl.sub.0.05, Li.sub.2.9BS.sub.2.9Cl.sub.0.1, Li.sub.2.8BS.sub.2.8Cl.sub.0.2, Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.9B.sub.0.95Si.sub.0.05S.sub.2.95Cl.sub.0.05, a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.85B.sub.0.85Si.sub.0.15S.sub.3, Li.sub.2.85B.sub.0.9Si.sub.0.1S.sub.2.95Cl.sub.0.05, and Li.sub.2.6BS.sub.2.6Cl.sub.0.4. As can be seen from FIG. 34, Li.sub.3BS.sub.3, Li.sub.2.95BS.sub.2.95Cl.sub.0.05, Li.sub.2.9BS.sub.2.9Cl.sub.0.1, Li.sub.2.8BS.sub.2.8Cl.sub.0.2, and Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3 are crystalline while a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.85B.sub.0.85Si.sub.0.15S.sub.3, Li.sub.2.85B.sub.0.9Si.sub.0.1S.sub.2.95Cl.sub.0.05, and Li.sub.2.6BS.sub.2.6Cl.sub.0.4 are amorphous. Further, Li.sub.2.9B.sub.0.95Si.sub.0.05S.sub.2.95Cl.sub.0.05, a-Li.sub.2.95B.sub.0.95Si.sub.0.05S.sub.3, Li.sub.2.85B.sub.0.85Si.sub.0.15S.sub.3, Li.sub.2.85B.sub.0.9Si.sub.0.1S.sub.2.95Cl.sub.0.05, and Li.sub.2.6BS.sub.2.6Cl.sub.0.4 are superionic.

[0500] FIG. 35 provides XRD patterns for Li.sub.3BS.sub.3, Li.sub.2.95 BS.sub.2.95 Cl.sub.0.005 and Li.sub.2.9BS.sub.2.9Cl.sub.0.1. The patterns do not appear to show any impurities.

REFERENCES CORRESPONDING TO EXAMPLES 1A, 2 AND 3

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STATEMENTS REGARDING INCORPORATION BY REFERENCE AND VARIATIONS

[0962] All references throughout this application, for example patent documents including issued or granted patents or equivalents; patent application publications; and non-patent literature documents or other source material; are hereby incorporated by reference herein in their entireties, as though individually incorporated by reference, to the extent each reference is at least partially not inconsistent with the disclosure in this application (for example, a reference that is partially inconsistent is incorporated by reference except for the partially inconsistent portion of the reference).

[0963] The terms and expressions which have been employed herein are used as terms of description and not of limitation, and there is no intention in the use of such terms and expressions of excluding any equivalents of the features shown and described or portions thereof, but it is recognized that various modifications are possible within the scope of the invention claimed. Thus, it should be understood that although the present invention has been specifically disclosed by preferred embodiments, exemplary embodiments and optional features, modification and variation of the concepts herein disclosed may be resorted to by those skilled in the art, and that such modifications and variations are considered to be within the scope of this invention as defined by the appended claims. The specific embodiments provided herein are examples of useful embodiments of the present invention and it will be apparent to one skilled in the art that the present invention may be carried out using a large number of variations of the devices, device components, methods steps set forth in the present description. As will be obvious to one of skill in the art, methods and devices useful for the present methods can include a large number of optional composition and processing elements and steps.

[0964] As used herein and in the appended claims, the singular forms a, an, and the include plural reference unless the context clearly dictates otherwise. Thus, for example, reference to a cell includes a plurality of such cells and equivalents thereof known to those skilled in the art. As well, the terms a (or an), one or more and at least one can be used interchangeably herein. It is also to be noted that the terms comprising, including, and having can be used interchangeably. The expression of any of claims XX-YY (wherein XX and YY refer to claim numbers) is intended to provide a multiple dependent claim in the alternative form, and in some embodiments is interchangeable with the expression as in any one of claims XX-YY.

[0965] When a group of substituents is disclosed herein, it is understood that all individual members of that group and all subgroups, including any isomers, enantiomers, and diastereomers of the group members, are disclosed separately. When a Markush group or other grouping is used herein, all individual members of the group and all combinations and subcombinations possible of the group are intended to be individually included in the disclosure. When a compound is described herein such that a particular isomer, enantiomer or diastereomer of the compound is not specified, for example, in a formula or in a chemical name, that description is intended to include each isomers and enantiomer of the compound described individual or in any combination. Additionally, unless otherwise specified, all isotopic variants of compounds disclosed herein are intended to be encompassed by the disclosure. For example, it will be understood that any one or more hydrogens in a molecule disclosed can be replaced with deuterium or tritium. Isotopic variants of a molecule are generally useful as standards in assays for the molecule and in chemical and biological research related to the molecule or its use. Methods for making such isotopic variants are known in the art. Specific names of compounds are intended to be exemplary, as it is known that one of ordinary skill in the art can name the same compounds differently.

[0966] Certain molecules disclosed herein may contain one or more ionizable groups [groups from which a proton can be removed (e.g., COOH) or added (e.g., amines) or which can be quaternized (e.g., amines)]. All possible ionic forms of such molecules and salts thereof are intended to be included individually in the disclosure herein. With regard to salts of the compounds herein, one of ordinary skill in the art can select from among a wide variety of available counterions those that are appropriate for preparation of salts of this invention for a given application. In specific applications, the selection of a given anion or cation for preparation of a salt may result in increased or decreased solubility of that salt.

[0967] Every device, cell, electrolyte, material, composition, and method described or exemplified herein can be used to practice the invention, unless otherwise stated.

[0968] Whenever a range is given in the specification, for example, a temperature range, a time range, or a composition or concentration range, all intermediate ranges and subranges, as well as all individual values included in the ranges given are intended to be included in the disclosure. It will be understood that any subranges or individual values in a range or subrange that are included in the description herein can be excluded from the claims herein.

[0969] All patents and publications mentioned in the specification are indicative of the levels of skill of those skilled in the art to which the invention pertains. References cited herein are incorporated by reference herein in their entirety to indicate the state of the art as of their publication or filing date and it is intended that this information can be employed herein, if needed, to exclude specific embodiments that are in the prior art.

[0970] As used herein, comprising is synonymous with including, containing, or characterized by, and is inclusive or open-ended and does not exclude additional, unrecited elements or method steps. As used herein, consisting of excludes any element, step, or ingredient not specified in the claim element. As used herein, consisting essentially of does not exclude materials or steps that do not materially affect the basic and novel characteristics of the claim. In each instance herein any of the terms comprising, consisting essentially of and consisting of may be replaced with either of the other two terms. The invention illustratively described herein suitably may be practiced in the absence of any element or elements, limitation or limitations which is not specifically disclosed herein.

[0971] One of ordinary skill in the art will appreciate that starting materials, biological materials, reagents, synthetic methods, purification methods, analytical methods, assay methods, and biological methods other than those specifically exemplified can be employed in the practice of the invention without resort to undue experimentation. All art-known functional equivalents, of any such materials and methods are intended to be included in this invention. The terms and expressions which have been employed are used as terms of description and not of limitation, and there is no intention that in the use of such terms and expressions of excluding any equivalents of the features shown and described or portions thereof, but it is recognized that various modifications are possible within the scope of the invention claimed. Thus, it should be understood that although the present invention has been specifically disclosed by preferred embodiments and optional features, modification and variation of the concepts herein disclosed may be resorted to by those skilled in the art, and that such modifications and variations are considered to be within the scope of this invention as defined by the appended claims.