Cu6O6
Cu6O6 has a DFT band gap of 0.02 eV across 31 reported structures in 12 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Cu6O6, 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.
0.02 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.
31
4 databases, 12 space groups
Reference
Frequently Asked Questions
Common questions about Cu6O6, answered from cross-validated data.
What is the band gap of Cu6O6?
Cu6O6 has a DFT-computed band gap of 0.02 eV across 31 reported structures.
More questions
Is Cu6O6 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cu6O6 thermodynamically stable?
Yes — Cu6O6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cu6O6 are known?
31 structures of Cu6O6 are reported across 4 databases, spanning 12 distinct space groups.
What elements does Cu6O6 contain?
Cu6O6 contains Cu and O (2 elements).
Where does the data for Cu6O6 come from?
Cu6O6 data is cross-referenced from latticegraph.
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Related Compounds
Other Conversion Oxide Anodes in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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