CoCuO2
This inorganic compound is a mixed-metal oxide containing cobalt and copper. It is primarily studied by researchers for its magnetic properties and its potential role in advanced electronic materials.
Overview
Key Properties
Cross-validated computational properties for CoCuO2, 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.
0.06 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.
0.053 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.
8
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CoCuO2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.00 | 0.0529 | -5.705 | 5.26 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0676 | -5.690 | 5.53 |
| R-3m (No. 166) | trigonal | 0.06 | 0.1274 | -6.262 | 6.36 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 6.36 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.69 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.53 |
Uses
Applications
Where CoCuO2 is used.
Materials science researchMagnetic material studiesCatalysis research
Reference
Frequently Asked Questions
Common questions about CoCuO2, answered from cross-validated data.
What is CoCuO2?
This inorganic compound is a mixed-metal oxide containing cobalt and copper. It is primarily studied by researchers for its magnetic properties and its potential role in advanced electronic materials.
More questions
What is CoCuO2 used for?
CoCuO2 is used in materials science research, magnetic material studies, and catalysis research.
What is the band gap of CoCuO2?
CoCuO2 has a DFT-computed band gap of 0.06 eV across 8 reported structures.
Is CoCuO2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is CoCuO2 thermodynamically stable?
CoCuO2 has a lowest energy above hull of 0.053 eV/atom (metastable).
What is the crystal structure of CoCuO2?
The lowest-energy reported polymorph of CoCuO2 is triclinic symmetry, space group P-1 (No. 2).
What is the density of CoCuO2?
The computed density of the ground-state structure of CoCuO2 is 5.26 g/cm³.
How many polymorphs of CoCuO2 are known?
8 structures of CoCuO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does CoCuO2 contain?
CoCuO2 contains Co, Cu, and O (3 elements).
Where does the data for CoCuO2 come from?
CoCuO2 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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.
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