V2CoO6
V2CoO6 is a metastable semiconducting oxide utilized in the development of advanced oxygen-evolution catalysts for energy applications.
About V2CoO6
V2CoO6 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a semiconducting material, it offers unique electronic properties that are critical for facilitating electrochemical reactions at the electrode-electrolyte interface.
Despite its metastable nature, the compound has garnered significant interest in materials research, with numerous structural configurations documented. Its potential utility lies in its ability to participate in catalytic cycles, making it a subject of study for next-generation energy conversion technologies.
Key Properties
Cross-validated computational properties for V2CoO6, 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 V2CoO6. 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 V2CoO6, 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. |
|---|---|---|---|---|---|
| — | — | 1.68 | 0.0012 | -2.084 | — |
| C2/m (No. 12) | monoclinic | 0.06 | 0.0044 | -2.106 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0044 | -2.106 | — |
| C2/m (No. 12) | monoclinic | 0.06 | 0.0130 | -2.097 | — |
| C2/m (No. 12) | monoclinic | 0.06 | 0.0130 | -2.097 | — |
| C2/m (No. 12) | monoclinic | 0.03 | 0.0133 | -2.097 | — |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0201 | -2.090 | — |
| C2/c (No. 15) | monoclinic | 2.09 | 0.0332 | -8.232 | 3.68 |
| R3 (No. 146) | trigonal | 0.00 | 0.0356 | -2.075 | — |
| C2/m (No. 12) | monoclinic | 1.99 | 0.0421 | -8.223 | 4.30 |
| — | — | 1.21 | 0.0494 | -2.036 | — |
| P-1 (No. 2) | triclinic | 1.68 | 0.0540 | -8.211 | 4.11 |
Synthesis Routes
Literature-extracted synthesis procedures targeting V2CoO6.
Applications
Where V2CoO6 is used.
Frequently Asked Questions
Common questions about V2CoO6, answered from cross-validated data.
What is V2CoO6?
V2CoO6 is a metastable semiconducting oxide utilized in the development of advanced oxygen-evolution catalysts for energy applications.
What is V2CoO6 used for?
What is the band gap of V2CoO6?
Is V2CoO6 a metal, semiconductor, or insulator?
Is V2CoO6 thermodynamically stable?
What is the crystal structure of V2CoO6?
What is the density of V2CoO6?
How many polymorphs of V2CoO6 are known?
How is V2CoO6 synthesized?
What elements does V2CoO6 contain?
Where does the data for V2CoO6 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, V2CoO6 occupies a distinct niche compared to more conventional materials like LiCoO2 or LaMnO3. While many of its class members are stable perovskites or spinel oxides, V2CoO6 represents a more complex, metastable phase that challenges standard synthesis paradigms, offering a different electronic landscape for catalytic activity than the highly studied LiCoO2.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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