CoSe2O5
CoSe2O5 is a stable, semiconducting cobalt-based oxide used as a catalyst for oxygen-evolution reactions.
About CoSe2O5
CoSe2O5 is a semiconducting oxide that sits on the convex hull, indicating high thermodynamic stability. As a member of the oxygen-evolution catalyst class, it plays a critical role in facilitating the electrochemical splitting of water into oxygen and protons. Its structural arrangement is well-documented, with multiple reported configurations across major materials databases.
The material is primarily studied for its potential in energy conversion and storage technologies. By participating in oxygen-evolution reactions, this cobalt-based oxide serves as a functional component in the development of efficient electrolyzers and sustainable energy systems.
Key Properties
Cross-validated computational properties for CoSe2O5, 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 CoSe2O5. 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 CoSe2O5, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 2.45 | 0.0000 | -6.131 | 4.62 |
| — | — | 1.60 | 0.0000 | -1.072 | — |
| — | — | 1.80 | 0.0461 | -1.026 | — |
| Pbcn (No. 60) | orthorhombic | 0.00 | 0.0984 | -0.736 | — |
| Pbcn (No. 60) | orthorhombic | — | — | — | 4.48 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 4.37 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 4.70 |
Applications
Where CoSe2O5 is used.
Frequently Asked Questions
Common questions about CoSe2O5, answered from cross-validated data.
What is CoSe2O5?
CoSe2O5 is a stable, semiconducting cobalt-based oxide used as a catalyst for oxygen-evolution reactions.
What is CoSe2O5 used for?
What is the band gap of CoSe2O5?
Is CoSe2O5 a metal, semiconductor, or insulator?
Is CoSe2O5 thermodynamically stable?
What is the crystal structure of CoSe2O5?
What is the density of CoSe2O5?
How many polymorphs of CoSe2O5 are known?
What elements does CoSe2O5 contain?
Where does the data for CoSe2O5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized layered oxides such as LiCoO2 or LiNiO2, which are primarily optimized for lithium-ion battery cathodes, CoSe2O5 is specifically categorized within the realm of oxygen-evolution catalysts. While perovskite-structured materials like LaMnO3 and LaNiO3 are frequently investigated for their high catalytic activity, CoSe2O5 offers a distinct structural motif that contributes to the diversity of available oxide catalysts for electrochemical applications.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- 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)
- 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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