O2Zn2
O2Zn2 has a DFT band gap of 0.45–1.28 eV across 105 reported structures in 12 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for O2Zn2, aggregated across 4 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.
0.45–1.28 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
105
4 databases, 12 space groups
Reference
Frequently Asked Questions
Common questions about O2Zn2, answered from cross-validated data.
What is the band gap of O2Zn2?
O2Zn2 has a DFT-computed band gap of 0.45–1.28 eV across 105 reported structures.
More questions
Is O2Zn2 a metal, semiconductor, or insulator?
With a band gap up to 1.28 eV it is a semiconductor.
Is O2Zn2 thermodynamically stable?
Yes — O2Zn2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of O2Zn2 are known?
105 structures of O2Zn2 are reported across 4 databases, spanning 12 distinct space groups.
What elements does O2Zn2 contain?
O2Zn2 contains O and Zn (2 elements).
Where does the data for O2Zn2 come from?
O2Zn2 data is cross-referenced from latticegraph.
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Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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