Li2O4PV
Li2O4PV has a DFT band gap of 1.26–2.97 eV across 12 reported structures in 7 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Li2O4PV, 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.
1.26–2.97 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.
0.029 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.
12
2 databases, 7 space groups
Reference
Frequently Asked Questions
Common questions about Li2O4PV, answered from cross-validated data.
What is the band gap of Li2O4PV?
Li2O4PV has a DFT-computed band gap of 1.26–2.97 eV across 12 reported structures.
More questions
Is Li2O4PV a metal, semiconductor, or insulator?
With a band gap up to 2.97 eV it is a semiconductor.
Is Li2O4PV thermodynamically stable?
Li2O4PV has a lowest energy above hull of 0.029 eV/atom (metastable).
How many polymorphs of Li2O4PV are known?
12 structures of Li2O4PV are reported across 2 databases, spanning 7 distinct space groups.
What elements does Li2O4PV contain?
Li2O4PV contains Li, O, P, and V (4 elements).
Where does the data for Li2O4PV come from?
Li2O4PV data is cross-referenced from latticegraph.
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Related Compounds
Other Vanadium Phosphate Cathodes in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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