CoCO
CoCO is a semiconducting cobalt-based oxide catalyst often studied for its role in oxygen-evolution reactions.
About CoCO
CoCO is a semiconducting oxide that functions within the class of oxygen-evolution catalysts. Its electronic structure and composition make it a subject of interest for researchers investigating the mechanisms of electrochemical water splitting and energy conversion processes.
Despite its status as a thermodynamically unstable phase situated above the hull, CoCO remains a notable entry in materials databases. Its existence across multiple reported structures highlights the complexity of cobalt-based oxide systems and their potential for metastable phase exploration in catalytic applications.
Key Properties
Cross-validated computational properties for CoCO, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CoCO. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (jarvis) reports a hull energy for CoCO, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for CoCO, 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. |
|---|---|---|---|---|---|
| P4mm (No. 99) | tetragonal | 0.23 | 3.0473 | 2.384 | — |
| Cm (No. 8) | monoclinic | — | — | — | 5.26 |
| Cm (No. 8) | monoclinic | — | — | — | 3.60 |
| Cm (No. 8) | monoclinic | — | — | — | 5.37 |
| P2/c (No. 13) | monoclinic | — | — | — | 4.42 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.84 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.52 |
| P21/m (No. 11) | monoclinic | — | — | — | 3.81 |
| P2/c (No. 13) | monoclinic | — | — | — | 4.79 |
| P2/c (No. 13) | monoclinic | — | — | — | 3.35 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 6.29 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 5.73 |
Applications
Where CoCO is used.
Frequently Asked Questions
Common questions about CoCO, answered from cross-validated data.
What is CoCO?
CoCO is a semiconducting cobalt-based oxide catalyst often studied for its role in oxygen-evolution reactions.
What is CoCO used for?
What is the band gap of CoCO?
Is CoCO a metal, semiconductor, or insulator?
Is CoCO thermodynamically stable?
What is the crystal structure of CoCO?
How many polymorphs of CoCO are known?
What elements does CoCO contain?
Where does the data for CoCO come from?
Related Research
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxygen-evolution catalysts, CoCO occupies a distinct position compared to more stable, widely utilized materials like LiCoO2 or NiO. While siblings such as LiCoO2 are recognized for their robust performance in energy storage and catalysis, CoCO represents a more exotic, less stable variant that challenges current understanding of phase accessibility in transition metal oxides.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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