K2CoO3
K2CoO3 is a metastable semiconducting oxide studied for its potential applications in oxygen-evolution catalysis.
About K2CoO3
K2CoO3 is a complex oxide within the oxygen-evolution catalyst family, characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration that offers distinct pathways for electrochemical activity in energy conversion systems.
Its utility is primarily centered on its potential for catalytic oxygen production, where its specific atomic arrangement influences reaction kinetics. Researchers study this compound to understand how metastable oxides can be leveraged to improve the efficiency of water-splitting technologies.
Key Properties
Cross-validated computational properties for K2CoO3, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of K2CoO3. 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 K2CoO3, 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. |
|---|---|---|---|---|---|
| — | — | 0.56 | 0.0000 | -1.441 | — |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0000 | -1.421 | — |
| Cmce (No. 64) | orthorhombic | 0.13 | 0.0594 | -5.471 | 2.86 |
| Cmce (No. 64) | orthorhombic | — | — | — | 3.05 |
| Cmce (No. 64) | orthorhombic | — | — | — | 3.19 |
| Cmce (No. 64) | orthorhombic | — | — | — | 2.86 |
Applications
Where K2CoO3 is used.
Frequently Asked Questions
Common questions about K2CoO3, answered from cross-validated data.
What is K2CoO3?
K2CoO3 is a metastable semiconducting oxide studied for its potential applications in oxygen-evolution catalysis.
What is K2CoO3 used for?
What is the band gap of K2CoO3?
Is K2CoO3 a metal, semiconductor, or insulator?
Is K2CoO3 thermodynamically stable?
What is the crystal structure of K2CoO3?
How many polymorphs of K2CoO3 are known?
What elements does K2CoO3 contain?
Where does the data for K2CoO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad class of oxygen-evolution catalysts, K2CoO3 stands out as a metastable alternative to more conventional, highly stable materials like LiCoO2 or LaMnO3. While many of its class members, such as NiO or LiMn2O4, are recognized for their robust structural integrity, K2CoO3 provides a different electronic landscape that researchers explore to overcome limitations inherent in more common perovskite or spinel-based catalysts.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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