Li4Zn(PS4)2
Li4Zn(PS4)2 has a DFT band gap of Metallic / not reported across 15 reported structures in 2 space groups. Cross-validated across 1 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Li4Zn(PS4)2, aggregated across 1 database.
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.
Metallic / not reported
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.
—
Best (lowest) across sources
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.
Not assessed
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
15
1 database, 2 space groups
Reference
Frequently Asked Questions
Common questions about Li4Zn(PS4)2, answered from cross-validated data.
What is the band gap of Li4Zn(PS4)2?
Li4Zn(PS4)2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Li4Zn(PS4)2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
How many polymorphs of Li4Zn(PS4)2 are known?
15 structures of Li4Zn(PS4)2 are reported across 1 database, spanning 2 distinct space groups.
What elements does Li4Zn(PS4)2 contain?
Li4Zn(PS4)2 contains Li, P, S, and Zn (4 elements).
Where does the data for Li4Zn(PS4)2 come from?
Li4Zn(PS4)2 data is cross-referenced from latticegraph.
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Related Compounds
Other Sulfide Solid Electrolytes in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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