Na3CuO3
Na3CuO3 is a thermodynamically stable semiconducting oxide containing sodium, copper, and oxygen.
About Na3CuO3
Na3CuO3 is a thermodynamically stable ternary oxide composed of sodium, copper, and oxygen. As a member of the copper-based oxide family, it exhibits semiconducting electronic behavior, making it a subject of interest for fundamental solid-state chemistry and materials science investigations.
Its position on the convex hull confirms its thermodynamic stability, suggesting robust structural integrity under standard conditions. The compound has been characterized across multiple structural databases, reflecting significant interest in its crystallographic arrangement and electronic configuration.
Key Properties
Cross-validated computational properties for Na3CuO3, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Na3CuO3, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.77 | 0.0000 | -4.724 | 3.43 |
| P42/mnm (No. 136) | tetragonal | 1.14 | 0.0189 | -4.705 | 3.29 |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 3.08 |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 3.23 |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 3.19 |
| P42/mnm (No. 136) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Na3CuO3, answered from cross-validated data.
What is Na3CuO3?
Na3CuO3 is a thermodynamically stable semiconducting oxide containing sodium, copper, and oxygen.
What is the band gap of Na3CuO3?
Is Na3CuO3 a metal, semiconductor, or insulator?
Is Na3CuO3 thermodynamically stable?
What is the crystal structure of Na3CuO3?
What is the density of Na3CuO3?
How many polymorphs of Na3CuO3 are known?
What elements does Na3CuO3 contain?
Where does the data for Na3CuO3 come from?
How It Compares
As a distinct ternary oxide, Na3CuO3 serves as a representative example of copper-sodium-oxygen chemistry. Without direct structural siblings in this specific class, it stands as a unique reference point for exploring the electronic and structural trends within alkali metal cuprates.
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).
Analyze Na3CuO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →