K6Co2O5
K6Co2O5 is a stable, semiconducting cobalt-based oxide utilized in the development and study of oxygen-evolution catalysts.
About K6Co2O5
K6Co2O5 is a semiconducting oxide that holds a significant position within the field of oxygen-evolution catalysts. Its status as a thermodynamically stable phase on the convex hull makes it a robust candidate for fundamental studies in electrochemical energy conversion and material design.
Because of its unique composition, this compound serves as a valuable subject for investigating the relationship between electronic structure and catalytic activity. Researchers utilize its stable framework to better understand how cobalt-based oxides facilitate the complex pathways required for oxygen evolution in diverse electrochemical environments.
Key Properties
Cross-validated computational properties for K6Co2O5, 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 K6Co2O5. 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 K6Co2O5, 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. |
|---|---|---|---|---|---|
| — | — | 1.62 | 0.0000 | -1.378 | — |
| P42/mnm (No. 136) | tetragonal | 1.00 | 0.0000 | -4.929 | 2.71 |
| P42/mnm (No. 136) | tetragonal | 0.01 | 0.0000 | -1.323 | — |
| — | — | 1.52 | 0.0065 | -1.371 | — |
| Cm (No. 8) | monoclinic | 0.88 | 0.0198 | -8.429 | 2.83 |
| — | — | 0.00 | 0.2092 | -1.169 | — |
| P42/mnm (No. 136) | tetragonal | — | — | — | 2.77 |
| P42/mnm (No. 136) | tetragonal | — | — | — | 2.80 |
| P42/mnm (No. 136) | tetragonal | — | — | — | 2.71 |
| P42/mnm (No. 136) | tetragonal | — | — | — | 2.77 |
Applications
Where K6Co2O5 is used.
Frequently Asked Questions
Common questions about K6Co2O5, answered from cross-validated data.
What is K6Co2O5?
K6Co2O5 is a stable, semiconducting cobalt-based oxide utilized in the development and study of oxygen-evolution catalysts.
What is K6Co2O5 used for?
What is the band gap of K6Co2O5?
Is K6Co2O5 a metal, semiconductor, or insulator?
Is K6Co2O5 thermodynamically stable?
What is the crystal structure of K6Co2O5?
What is the density of K6Co2O5?
How many polymorphs of K6Co2O5 are known?
What elements does K6Co2O5 contain?
Where does the data for K6Co2O5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad class of oxide oxygen-evolution catalysts, K6Co2O5 distinguishes itself from common transition metal oxides like NiO or LiCoO2 through its specific alkali-rich stoichiometry. While materials such as LaMnO3 or BiFeO3 are frequently studied for their perovskite-based architectures, K6Co2O5 offers a different structural perspective, providing researchers with a stable, semiconducting alternative that expands the chemical space available for optimizing catalytic performance.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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