NaCo2O3
NaCo2O3 has a DFT band gap of 0.71–0.91 eV across 9 reported structures in 4 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for NaCo2O3, 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.
0.71–0.91 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.
0.025 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
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 4 space groups
Reference
Frequently Asked Questions
Common questions about NaCo2O3, answered from cross-validated data.
What is the band gap of NaCo2O3?
NaCo2O3 has a DFT-computed band gap of 0.71–0.91 eV across 9 reported structures.
More questions
Is NaCo2O3 a metal, semiconductor, or insulator?
With a band gap up to 0.91 eV it is a semiconductor.
Is NaCo2O3 thermodynamically stable?
NaCo2O3 has a lowest energy above hull of 0.025 eV/atom (metastable).
How many polymorphs of NaCo2O3 are known?
9 structures of NaCo2O3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does NaCo2O3 contain?
NaCo2O3 contains Co, Na, and O (3 elements).
Where does the data for NaCo2O3 come from?
NaCo2O3 data is cross-referenced from latticegraph.
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Related Compounds
Other Layered Sodium Transition-Metal Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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