Co2Sb2O7
Co2Sb2O7 is a semiconducting cobalt antimony oxide being explored for its potential utility in electrochemical oxygen-evolution catalysis.
About Co2Sb2O7
Co2Sb2O7 is a complex oxide material characterized by its semiconducting electronic structure. As a member of the oxide oxygen-evolution catalyst family, it is studied for its potential to facilitate electrochemical water splitting reactions, which are essential for sustainable hydrogen production technologies.
Despite its interest in catalytic research, the compound is identified as being above the thermodynamic hull, suggesting it is a metastable phase. Its structural diversity is highlighted by multiple reported configurations across materials databases, reflecting the complex interplay between cobalt and antimony in oxygen-rich coordination environments.
Key Properties
Cross-validated computational properties for Co2Sb2O7, 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 Co2Sb2O7. 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 Co2Sb2O7, 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. |
|---|---|---|---|---|---|
| — | — | 1.07 | 0.1244 | -1.467 | — |
| Fd-3m (No. 227) | cubic | 0.77 | 0.1397 | -6.778 | 5.98 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.2462 | -1.083 | — |
| — | — | 0.00 | 0.3699 | -1.222 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 5.98 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.52 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.22 |
Applications
Where Co2Sb2O7 is used.
Frequently Asked Questions
Common questions about Co2Sb2O7, answered from cross-validated data.
What is Co2Sb2O7?
Co2Sb2O7 is a semiconducting cobalt antimony oxide being explored for its potential utility in electrochemical oxygen-evolution catalysis.
What is Co2Sb2O7 used for?
What is the band gap of Co2Sb2O7?
Is Co2Sb2O7 a metal, semiconductor, or insulator?
Is Co2Sb2O7 thermodynamically stable?
What is the crystal structure of Co2Sb2O7?
What is the density of Co2Sb2O7?
How many polymorphs of Co2Sb2O7 are known?
What elements does Co2Sb2O7 contain?
Where does the data for Co2Sb2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxygen-evolution catalysts, Co2Sb2O7 occupies a distinct niche compared to more conventional materials like NiO or LiCoO2. While many of its class members, such as LaMnO3 or BiFeO3, are widely utilized for their robust perovskite-based frameworks, Co2Sb2O7 represents a more specialized, metastable oxide structure that offers different electronic pathways for catalytic activity.
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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