Na2CuO2
Sodium cuprate · Sodium copper oxide
Sodium cuprate is an inorganic compound consisting of sodium, copper, and oxygen. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of complex copper-based materials.
CuNaO
Overview
Key Properties
Cross-validated computational properties for Sodium cuprate, 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.
0.07 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.
0.048 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.
16
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Na2CuO2, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.0478 | -4.665 | 3.73 |
| Immm (No. 71) | orthorhombic | 0.00 | 0.0536 | -4.660 | 3.47 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.0735 | -4.640 | 3.59 |
| P21 (No. 4) | monoclinic | 0.07 | 0.1243 | -4.589 | 3.27 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.5825 | -4.131 | 3.28 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.73 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.89 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.87 |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.47 |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.65 |
| Immm (No. 71) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.78 |
Uses
Applications
Where Sodium cuprate is used.
Chemical synthesisMaterials science researchCatalyst development
Reference
Frequently Asked Questions
Common questions about Sodium cuprate, answered from cross-validated data.
What is Na2CuO2?
Sodium cuprate is an inorganic compound consisting of sodium, copper, and oxygen. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of complex copper-based materials.
More questions
What is Na2CuO2 used for?
Sodium cuprate (Na2CuO2) is used in chemical synthesis, materials science research, and catalyst development.
What is the band gap of Na2CuO2?
Sodium cuprate (Na2CuO2) has a DFT-computed band gap of 0.07 eV across 16 reported structures.
Is Na2CuO2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Na2CuO2 thermodynamically stable?
Sodium cuprate (Na2CuO2) has a lowest energy above hull of 0.048 eV/atom (metastable).
What is the crystal structure of Na2CuO2?
The lowest-energy reported polymorph of Sodium cuprate (Na2CuO2) is orthorhombic symmetry, space group Cmc21 (No. 36).
What is the density of Na2CuO2?
The computed density of the ground-state structure of Sodium cuprate (Na2CuO2) is 3.73 g/cm³.
How many polymorphs of Na2CuO2 are known?
16 structures of Na2CuO2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Na2CuO2 contain?
Sodium cuprate (Na2CuO2) contains Cu, Na, and O (3 elements).
Where does the data for Na2CuO2 come from?
Na2CuO2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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