K2CoO2
K2CoO2 is a stable, semiconducting oxide material utilized in the study of oxygen-evolution catalysis for electrochemical applications.
About K2CoO2
K2CoO2 is a semiconducting oxide that sits on the convex hull, indicating significant thermodynamic stability. As a member of the oxide oxygen-evolution catalyst class, it serves as a subject of interest for researchers investigating efficient electrochemical energy conversion processes. Its specific electronic configuration makes it a candidate for studying charge transfer mechanisms essential for water splitting applications. The material is well-documented, with multiple structural configurations identified across various databases, highlighting its importance in materials discovery. It provides a stable platform for exploring how alkali metal incorporation influences the catalytic activity of cobalt-based oxide frameworks.
Key Properties
Cross-validated computational properties for K2CoO2, 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 K2CoO2. 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 K2CoO2, 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. |
|---|---|---|---|---|---|
| — | — | 0.84 | 0.0000 | -1.383 | — |
| P21/c (No. 14) | monoclinic | 0.22 | 0.0000 | -1.329 | — |
| P21/c (No. 14) | monoclinic | 0.17 | 0.0000 | -5.282 | 2.83 |
| — | — | 1.80 | 0.0137 | -1.369 | — |
| P21 (No. 4) | monoclinic | 0.75 | 0.0226 | -8.758 | 3.03 |
| — | — | 0.00 | 0.0626 | -1.320 | — |
| — | — | 0.85 | 0.1255 | -1.257 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 2.83 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.97 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.92 |
Applications
Where K2CoO2 is used.
Frequently Asked Questions
Common questions about K2CoO2, answered from cross-validated data.
What is K2CoO2?
K2CoO2 is a stable, semiconducting oxide material utilized in the study of oxygen-evolution catalysis for electrochemical applications.
What is K2CoO2 used for?
What is the band gap of K2CoO2?
Is K2CoO2 a metal, semiconductor, or insulator?
Is K2CoO2 thermodynamically stable?
What is the crystal structure of K2CoO2?
How many polymorphs of K2CoO2 are known?
What elements does K2CoO2 contain?
Where does the data for K2CoO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, K2CoO2 distinguishes itself from transition metal-heavy counterparts like LiCoO2 and LaMnO3 through its unique stoichiometry and electronic character. While many class members rely on complex perovskite or spinel structures, K2CoO2 offers a different structural perspective on how alkali-rich environments modulate the catalytic performance of cobalt centers compared to more traditional oxides like NiO.
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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