VCoO4
VCoO4 is a metastable semiconducting oxide utilized in the study and development of oxygen-evolution catalysts for electrochemical applications.
About VCoO4
VCoO4 is a semiconducting oxide that functions as a specialized catalyst for oxygen-evolution reactions. Its unique electronic structure and metastable nature make it a subject of significant interest for researchers aiming to improve the efficiency of electrochemical energy conversion processes.
As a member of the transition metal oxide family, this compound contributes to the ongoing development of sustainable energy technologies. Its structural complexity, evidenced by multiple reported configurations, highlights its potential for tuning catalytic performance in demanding electrochemical environments.
Key Properties
Cross-validated computational properties for VCoO4, 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 VCoO4. 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 VCoO4, 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 | 0.33 | 0.0000 | -1.876 | — |
| — | — | 0.82 | 0.0379 | -1.806 | — |
| Imma (No. 74) | orthorhombic | 0.31 | 0.0534 | -1.823 | — |
| Cmcm (No. 63) | orthorhombic | 1.47 | 0.0656 | -7.821 | 4.30 |
| Imma (No. 74) | orthorhombic | 1.34 | 0.1287 | -7.757 | 4.45 |
| Pnma (No. 62) | orthorhombic | 0.26 | 0.1563 | -7.730 | 4.30 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.71 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.44 |
| Imma (No. 74) | orthorhombic | — | — | — | 4.89 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.30 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 4.43 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 4.30 |
Applications
Where VCoO4 is used.
Frequently Asked Questions
Common questions about VCoO4, answered from cross-validated data.
What is VCoO4?
VCoO4 is a metastable semiconducting oxide utilized in the study and development of oxygen-evolution catalysts for electrochemical applications.
What is VCoO4 used for?
What is the band gap of VCoO4?
Is VCoO4 a metal, semiconductor, or insulator?
Is VCoO4 thermodynamically stable?
What is the crystal structure of VCoO4?
How many polymorphs of VCoO4 are known?
What elements does VCoO4 contain?
Where does the data for VCoO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxygen-evolution catalysts, VCoO4 occupies a distinct niche compared to more conventional materials like LiCoO2 or LaMnO3. While many of its class members are characterized by their high thermodynamic stability and well-defined crystalline phases, VCoO4 offers a metastable alternative that provides unique pathways for surface reactivity and charge transport during catalysis.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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