NaCuO
Sodium copper oxide is a ternary inorganic compound containing sodium, copper, and oxygen. It is primarily studied in the context of solid-state chemistry and materials science research regarding transition metal oxides.
CuNaO
Overview
Key Properties
Cross-validated computational properties for NaCuO, 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.
1.27 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.
12
4 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaCuO, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 1.27 | 0.0000 | -4.689 | 3.84 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -5.010 | 4.82 |
| P42/nmc (No. 137) | tetragonal | 0.00 | 0.0073 | -5.002 | 4.87 |
| F-43m (No. 216) | cubic | 0.00 | 0.5397 | -4.149 | 4.45 |
| F-43m (No. 216) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.66 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.81 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 3.77 |
| No. 0 | unknown | — | — | — | 1.39 |
| No. 0 | unknown | — | — | — | 1.40 |
| No. 0 | unknown | — | — | — | 1.40 |
Uses
Applications
Where NaCuO is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about NaCuO, answered from cross-validated data.
What is NaCuO?
Sodium copper oxide is a ternary inorganic compound containing sodium, copper, and oxygen. It is primarily studied in the context of solid-state chemistry and materials science research regarding transition metal oxides.
More questions
What is NaCuO used for?
NaCuO is used in materials science research and solid-state chemistry studies.
What is the band gap of NaCuO?
NaCuO has a DFT-computed band gap of 1.27 eV across 12 reported structures.
Is NaCuO a metal, semiconductor, or insulator?
With a band gap up to 1.27 eV it is a semiconductor.
Is NaCuO thermodynamically stable?
Yes — NaCuO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaCuO?
The lowest-energy reported polymorph of NaCuO is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of NaCuO?
The computed density of the ground-state structure of NaCuO is 3.84 g/cm³.
How many polymorphs of NaCuO are known?
12 structures of NaCuO are reported across 4 databases, spanning 5 distinct space groups.
What elements does NaCuO contain?
NaCuO contains Cu, Na, and O (3 elements).
Where does the data for NaCuO come from?
NaCuO data is cross-referenced from materials_project, jarvis, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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