LiCrP2S7
LiCrP2S7 has a DFT band gap of 1.42 eV across 2 reported structures in 1 space group. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for LiCrP2S7, aggregated across 2 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.
1.42 eV
Range across DFT structures
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.
0.040 eV/atom
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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
2
2 databases, 1 space group
Reference
Frequently Asked Questions
Common questions about LiCrP2S7, answered from cross-validated data.
What is the band gap of LiCrP2S7?
LiCrP2S7 has a DFT-computed band gap of 1.42 eV across 2 reported structures.
More questions
Is LiCrP2S7 a metal, semiconductor, or insulator?
With a band gap up to 1.42 eV it is a semiconductor.
Is LiCrP2S7 thermodynamically stable?
LiCrP2S7 has a lowest energy above hull of 0.040 eV/atom (metastable).
How many polymorphs of LiCrP2S7 are known?
2 structures of LiCrP2S7 are reported across 2 databases, spanning 1 distinct space group.
What elements does LiCrP2S7 contain?
LiCrP2S7 contains Cr, Li, P, and S (4 elements).
Where does the data for LiCrP2S7 come from?
LiCrP2S7 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Sulfide Solid Electrolytes in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze LiCrP2S7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →