H2Li2O16P4V2
H2Li2O16P4V2 has a DFT band gap of 1.25–1.54 eV across 13 reported structures in 3 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for H2Li2O16P4V2, 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.
1.25–1.54 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.
0.045 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.
13
2 databases, 3 space groups
Reference
Frequently Asked Questions
Common questions about H2Li2O16P4V2, answered from cross-validated data.
What is the band gap of H2Li2O16P4V2?
H2Li2O16P4V2 has a DFT-computed band gap of 1.25–1.54 eV across 13 reported structures.
More questions
Is H2Li2O16P4V2 a metal, semiconductor, or insulator?
With a band gap up to 1.54 eV it is a semiconductor.
Is H2Li2O16P4V2 thermodynamically stable?
H2Li2O16P4V2 has a lowest energy above hull of 0.045 eV/atom (metastable).
How many polymorphs of H2Li2O16P4V2 are known?
13 structures of H2Li2O16P4V2 are reported across 2 databases, spanning 3 distinct space groups.
What elements does H2Li2O16P4V2 contain?
H2Li2O16P4V2 contains H, Li, O, P, and V (5 elements).
Where does the data for H2Li2O16P4V2 come from?
H2Li2O16P4V2 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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