Li16O36P8V4
Li16O36P8V4 has a DFT band gap of 1.26–3.50 eV across 4 reported structures in 3 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Li16O36P8V4, 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.
1.26–3.50 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.
0.072 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.
4
2 databases, 3 space groups
Reference
Frequently Asked Questions
Common questions about Li16O36P8V4, answered from cross-validated data.
What is the band gap of Li16O36P8V4?
Li16O36P8V4 has a DFT-computed band gap of 1.26–3.50 eV across 4 reported structures.
More questions
Is Li16O36P8V4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.50 eV it is an insulator / wide-band-gap material.
Is Li16O36P8V4 thermodynamically stable?
Li16O36P8V4 has a lowest energy above hull of 0.072 eV/atom (metastable).
How many polymorphs of Li16O36P8V4 are known?
4 structures of Li16O36P8V4 are reported across 2 databases, spanning 3 distinct space groups.
What elements does Li16O36P8V4 contain?
Li16O36P8V4 contains Li, O, P, and V (4 elements).
Where does the data for Li16O36P8V4 come from?
Li16O36P8V4 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Vanadium Phosphate Cathodes in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze Li16O36P8V4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →