LiZnPS4
This compound is a quaternary sulfide material primarily investigated for its potential as a solid-state electrolyte in advanced battery technologies. Its structural characteristics are of interest to researchers aiming to improve ion conductivity and stability in next-generation energy storage devices.
Key Properties
Cross-validated computational properties for LiZnPS4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for LiZnPS4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 2.73 | 0.0000 | -4.537 | 2.50 |
| I-4 (No. 82) | Tetragonal | — | — | — | 2.50 |
| I-4 (No. 82) | Tetragonal | — | — | — | 2.55 |
| I-4 (No. 82) | Tetragonal | — | — | — | 2.59 |
| I-4 (No. 82) | — | — | — | — | — |
Applications
Where LiZnPS4 is used.
Frequently Asked Questions
Common questions about LiZnPS4, answered from cross-validated data.
What is LiZnPS4?
This compound is a quaternary sulfide material primarily investigated for its potential as a solid-state electrolyte in advanced battery technologies. Its structural characteristics are of interest to researchers aiming to improve ion conductivity and stability in next-generation energy storage devices.
What is LiZnPS4 used for?
What is the band gap of LiZnPS4?
Is LiZnPS4 a metal, semiconductor, or insulator?
Is LiZnPS4 thermodynamically stable?
What is the crystal structure of LiZnPS4?
What is the density of LiZnPS4?
How many polymorphs of LiZnPS4 are known?
What elements does LiZnPS4 contain?
Where does the data for LiZnPS4 come from?
Related Compounds
Other Sulfide Solid Electrolytes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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