CoSeO4
cobalt(II) selenate
CoSeO4 is a stable, semiconducting cobalt selenate utilized as a catalyst for oxygen-evolution reactions in electrochemical applications.
About cobalt(II) selenate
CoSeO4 is a thermodynamically stable cobalt-based selenate that functions as a semiconducting material. Its position on the convex hull underscores its structural integrity, making it a reliable subject for research into advanced catalytic processes.
As a member of the oxide oxygen-evolution catalyst class, this compound is primarily investigated for its potential to facilitate electrochemical water splitting. Its electronic character allows for efficient charge transfer, which is essential for developing high-performance electrodes in energy conversion systems.
Key Properties
Cross-validated computational properties for cobalt(II) selenate, 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 CoSeO4. 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 CoSeO4, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.37 | 0.0000 | -6.404 | 4.64 |
| — | — | 1.09 | 0.0646 | -0.935 | — |
| Pnma (No. 62) | orthorhombic | 2.03 | 0.1018 | -6.302 | 4.74 |
| Cmcm (No. 63) | orthorhombic | 0.08 | 0.2064 | -0.693 | — |
| Cmcm (No. 63) | orthorhombic | 0.08 | 0.2064 | -0.693 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.49 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.29 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.63 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 4.39 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.43 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 4.51 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 4.73 |
Applications
Where cobalt(II) selenate is used.
Frequently Asked Questions
Common questions about cobalt(II) selenate, answered from cross-validated data.
What is CoSeO4?
CoSeO4 is a stable, semiconducting cobalt selenate utilized as a catalyst for oxygen-evolution reactions in electrochemical applications.
What is CoSeO4 used for?
What is the band gap of CoSeO4?
Is CoSeO4 a metal, semiconductor, or insulator?
Is CoSeO4 thermodynamically stable?
What is the crystal structure of CoSeO4?
What is the density of CoSeO4?
How many polymorphs of CoSeO4 are known?
What elements does CoSeO4 contain?
Where does the data for CoSeO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxygen-evolution catalysts, CoSeO4 offers a distinct chemical environment compared to traditional transition metal oxides like NiO or LiCoO2. While many of its siblings are simple binary or layered oxides, the inclusion of the selenate group provides a unique structural framework that influences its catalytic activity and stability differently than the perovskite-structured LaMnO3 or LaNiO3.
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)
- 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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