KCoO2
KCoO2 is a thermodynamically stable semiconducting oxide utilized as a catalyst for oxygen-evolution reactions in electrochemical applications.
About KCoO2
KCoO2 is a semiconducting oxide that holds a significant position within the family of oxygen-evolution catalysts. As a thermodynamically stable phase located on the convex hull, it represents a robust material choice for electrochemical research and catalytic surface studies. Its structural complexity is highlighted by a high number of reported experimental and theoretical configurations. This compound is primarily investigated for its potential to facilitate efficient oxygen-evolution reactions, making it a subject of interest for developing next-generation energy storage and conversion technologies.
Key Properties
Cross-validated computational properties for KCoO2, 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 KCoO2. 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 KCoO2, 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. |
|---|---|---|---|---|---|
| — | — | 1.47 | 0.0000 | -1.467 | — |
| I-4 (No. 82) | tetragonal | 0.00 | 0.0000 | -6.044 | 3.45 |
| — | — | 1.07 | 0.0174 | -1.450 | — |
| I-4 (No. 82) | tetragonal | 0.00 | 0.0246 | -6.020 | 3.80 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0324 | -6.012 | 3.64 |
| C2 (No. 5) | monoclinic | 0.68 | 0.0344 | -6.010 | 3.42 |
| Immm (No. 71) | orthorhombic | 1.32 | 0.0439 | -6.000 | 3.54 |
| C2/m (No. 12) | monoclinic | 1.36 | 0.0710 | -5.973 | 3.38 |
| I-4 (No. 82) | tetragonal | 0.00 | 0.0724 | -1.334 | — |
| I-4 (No. 82) | tetragonal | 0.00 | 0.0725 | -1.334 | — |
| I-42d (No. 122) | tetragonal | 0.00 | 0.0734 | -1.333 | — |
| P-1 (No. 2) | triclinic | 1.35 | 0.0735 | -5.971 | 3.36 |
Applications
Where KCoO2 is used.
Frequently Asked Questions
Common questions about KCoO2, answered from cross-validated data.
What is KCoO2?
KCoO2 is a thermodynamically stable semiconducting oxide utilized as a catalyst for oxygen-evolution reactions in electrochemical applications.
What is KCoO2 used for?
What is the band gap of KCoO2?
Is KCoO2 a metal, semiconductor, or insulator?
Is KCoO2 thermodynamically stable?
What is the crystal structure of KCoO2?
What is the density of KCoO2?
How many polymorphs of KCoO2 are known?
What elements does KCoO2 contain?
Where does the data for KCoO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, KCoO2 serves as a distinct potassium-based counterpart to lithium-based systems like LiCoO2 and LiNiO2. While many of its siblings, such as the perovskite-structured LaMnO3 or the spinel LiMn2O4, are widely utilized for their specific electronic properties, KCoO2 offers a unique structural alternative that expands the chemical space available for optimizing catalytic performance in alkaline environments.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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