CrLiO4P
CrLiO4P has a DFT band gap of 0.06–3.14 eV across 37 reported structures in 17 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for CrLiO4P, 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.
0.06–3.14 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.
0.005 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
37
3 databases, 17 space groups
Reference
Frequently Asked Questions
Common questions about CrLiO4P, answered from cross-validated data.
What is the band gap of CrLiO4P?
CrLiO4P has a DFT-computed band gap of 0.06–3.14 eV across 37 reported structures.
More questions
Is CrLiO4P a metal, semiconductor, or insulator?
With a wide band gap up to 3.14 eV it is an insulator / wide-band-gap material.
Is CrLiO4P thermodynamically stable?
CrLiO4P has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
How many polymorphs of CrLiO4P are known?
37 structures of CrLiO4P are reported across 3 databases, spanning 17 distinct space groups.
What elements does CrLiO4P contain?
CrLiO4P contains Cr, Li, O, and P (4 elements).
Where does the data for CrLiO4P come from?
CrLiO4P data is cross-referenced from latticegraph.
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Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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