O40V16
O40V16 has a DFT band gap of 0.03–2.75 eV across 60 reported structures in 14 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for O40V16, 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.
0.03–2.75 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
60
3 databases, 14 space groups
Reference
Frequently Asked Questions
Common questions about O40V16, answered from cross-validated data.
What is the band gap of O40V16?
O40V16 has a DFT-computed band gap of 0.03–2.75 eV across 60 reported structures.
More questions
Is O40V16 a metal, semiconductor, or insulator?
With a band gap up to 2.75 eV it is a semiconductor.
Is O40V16 thermodynamically stable?
Yes — O40V16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of O40V16 are known?
60 structures of O40V16 are reported across 3 databases, spanning 14 distinct space groups.
What elements does O40V16 contain?
O40V16 contains O and V (2 elements).
Where does the data for O40V16 come from?
O40V16 data is cross-referenced from latticegraph.
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Related Compounds
Other Electrochromic and Refractory-Metal Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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