V2CoO6
This inorganic compound is a mixed-metal oxide containing cobalt and vanadium. It is primarily studied for its potential role in advanced electrochemical systems and catalytic processes.
Overview
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.
0.88–2.04 eV
Range across DFT structures
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.
0.033 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
3 databases, 6 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.04 | 0.0332 | -8.232 | 3.68 |
| C2/m (No. 12) | monoclinic | 1.99 | 0.0421 | -8.223 | 4.30 |
| P-1 (No. 2) | triclinic | 1.68 | 0.0540 | -8.211 | 4.11 |
| C2/m (No. 12) | monoclinic | 2.01 | 0.0583 | -8.207 | 3.59 |
| C2 (No. 5) | monoclinic | 1.91 | 0.0622 | -8.203 | 4.08 |
| P1 (No. 1) | triclinic | 1.51 | 0.1274 | -8.138 | 4.17 |
| C2/m (No. 12) | monoclinic | 0.88 | 0.2774 | -7.988 | 2.36 |
| P1 (No. 1) | triclinic | 0.00 | 6.3958 | -1.869 | 4.18 |
| C2/m (No. 12) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.31 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.36 |
| P1 (No. 1) | Triclinic | — | — | — | 4.61 |
Uses
Applications
Where V2CoO6 is used.
Electrochemical energy storage researchCatalysisSolid-state chemistry research
Reference
Frequently Asked Questions
Common questions about V2CoO6, answered from cross-validated data.
What is V2CoO6?
This inorganic compound is a mixed-metal oxide containing cobalt and vanadium. It is primarily studied for its potential role in advanced electrochemical systems and catalytic processes.
More questions
What is V2CoO6 used for?
V2CoO6 is used in electrochemical energy storage research, catalysis, and solid-state chemistry research.
What is the band gap of V2CoO6?
V2CoO6 has a DFT-computed band gap of 0.88–2.04 eV across 27 reported structures.
Is V2CoO6 a metal, semiconductor, or insulator?
With a band gap up to 2.04 eV it is a semiconductor.
Is V2CoO6 thermodynamically stable?
V2CoO6 has a lowest energy above hull of 0.033 eV/atom (metastable).
What is the crystal structure of V2CoO6?
The lowest-energy reported polymorph of V2CoO6 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of V2CoO6?
The computed density of the ground-state structure of V2CoO6 is 3.68 g/cm³.
How many polymorphs of V2CoO6 are known?
27 structures of V2CoO6 are reported across 3 databases, spanning 6 distinct space groups.
What elements does V2CoO6 contain?
V2CoO6 contains Co, O, and V (3 elements).
Where does the data for V2CoO6 come from?
V2CoO6 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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