VCoO3
VCoO3 is a semiconducting cobalt-vanadium oxide designed for use as an oxygen-evolution catalyst in electrochemical systems.
About VCoO3
VCoO3 is a semiconducting mixed-metal oxide that belongs to the class of oxygen-evolution catalysts. Its structural composition, involving both cobalt and vanadium, positions it as a material of interest for electrochemical energy conversion processes where efficient catalysis is required.
Due to its near-hull thermodynamic stability, this compound is considered a viable candidate for experimental synthesis. It represents a specialized niche within oxide catalysts, offering distinct electronic properties that differentiate it from more conventional transition metal oxides.
Key Properties
Cross-validated computational properties for VCoO3, 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 VCoO3. 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 VCoO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.00 | 0.0124 | -1.912 | — |
| P-1 (No. 2) | triclinic | 0.11 | 0.0221 | -8.212 | 5.00 |
| — | — | 0.00 | 0.0279 | -1.979 | — |
| R-3 (No. 148) | trigonal | 0.00 | 0.0701 | -11.043 | 5.67 |
| P1 (No. 1) | triclinic | 1.15 | 0.0993 | -8.135 | 5.09 |
| — | — | 0.71 | 0.1066 | -1.900 | — |
| — | — | 0.00 | 0.1670 | -1.840 | — |
| — | — | 0.00 | 0.2957 | -1.711 | — |
| — | — | 0.00 | 0.3516 | -1.655 | — |
| — | — | 0.29 | 0.4429 | -1.564 | — |
| — | — | 0.00 | 0.4878 | -1.519 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5411 | -7.693 | 4.87 |
Applications
Where VCoO3 is used.
Frequently Asked Questions
Common questions about VCoO3, answered from cross-validated data.
What is VCoO3?
VCoO3 is a semiconducting cobalt-vanadium oxide designed for use as an oxygen-evolution catalyst in electrochemical systems.
What is VCoO3 used for?
What is the band gap of VCoO3?
Is VCoO3 a metal, semiconductor, or insulator?
Is VCoO3 thermodynamically stable?
What is the crystal structure of VCoO3?
What is the density of VCoO3?
How many polymorphs of VCoO3 are known?
What elements does VCoO3 contain?
Where does the data for VCoO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized LiCoO2 or the perovskite-structured LaNiO3, VCoO3 occupies a specific space in the oxide catalyst landscape by balancing its semiconducting nature with a composition that is theoretically accessible for synthesis. While materials like NiO are standard benchmarks in the field, VCoO3 provides an alternative chemical environment that may offer unique catalytic pathways for oxygen evolution.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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