CdCoO3
CdCoO3 is a metastable semiconducting oxide utilized in research regarding oxygen-evolution catalysis for energy applications.
About CdCoO3
CdCoO3 is a semiconducting oxide that functions within the broader class of oxygen-evolution catalysts. As a metastable phase, it represents a unique structural arrangement of cadmium, cobalt, and oxygen, offering distinct pathways for electrochemical surface reactions.
Its significance lies in its potential to facilitate efficient oxygen production in energy conversion devices. By leveraging its semiconducting electronic character, researchers study this compound to understand how transition metal oxides can be optimized for improved catalytic performance in demanding environments.
Key Properties
Cross-validated computational properties for CdCoO3, 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.
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 CdCoO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CdCoO3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.00 | 0.0376 | -1.071 | — |
| C2/c (No. 15) | monoclinic | 0.13 | 0.0522 | -5.728 | 6.15 |
| R-3 (No. 148) | trigonal | 0.00 | 0.0661 | -5.714 | 6.52 |
| — | — | 0.00 | 0.0766 | -1.047 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1061 | -5.674 | 6.70 |
| — | — | 0.00 | 0.1436 | -0.980 | — |
| — | — | 0.00 | 0.1603 | -0.964 | — |
| — | — | 0.00 | 0.2202 | -0.904 | — |
| — | — | 0.00 | 0.3049 | -0.819 | — |
| — | — | 0.00 | 0.3085 | -0.815 | — |
| — | — | 0.00 | 1.2173 | 0.093 | — |
| R-3 (No. 148) | trigonal | — | — | — | 6.52 |
Applications
Where CdCoO3 is used.
Frequently Asked Questions
Common questions about CdCoO3, answered from cross-validated data.
What is CdCoO3?
CdCoO3 is a metastable semiconducting oxide utilized in research regarding oxygen-evolution catalysis for energy applications.
What is CdCoO3 used for?
What is the band gap of CdCoO3?
Is CdCoO3 a metal, semiconductor, or insulator?
Is CdCoO3 thermodynamically stable?
What is the crystal structure of CdCoO3?
How many polymorphs of CdCoO3 are known?
What elements does CdCoO3 contain?
Where does the data for CdCoO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, CdCoO3 occupies a specialized niche compared to more conventional materials like LiCoO2 or LaMnO3. While many of its peers are established as stable, high-performance electrode components, CdCoO3 is distinguished by its metastable nature, which provides a different structural baseline for investigating reactivity compared to the well-characterized perovskites like LaNiO3.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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