V2CrO6
V2CrO6 is a metastable, semiconducting spinel-type oxide utilized in advanced catalytic research.
About V2CrO6
V2CrO6 is a semiconducting oxide that belongs to the complex family of spinel-related materials. Its electronic structure and metastable nature make it a subject of significant interest for researchers investigating tunable catalytic surfaces where precise electronic control is required.
This compound is primarily studied for its potential in catalytic processes, where its specific transition metal arrangement influences reactivity. As a metastable phase, it offers unique pathways for surface interactions that differ from more thermodynamically stable oxides, positioning it as a specialized candidate for chemical synthesis and energy conversion research.
Key Properties
Cross-validated computational properties for V2CrO6, 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.
Reported Structures
Lowest-energy structures reported for V2CrO6, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.31 | 0.0678 | -8.738 | 3.37 |
| C2 (No. 5) | monoclinic | 1.66 | 0.0701 | -8.736 | 3.36 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1107 | -8.695 | 3.40 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.76 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.52 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where V2CrO6 is used.
Frequently Asked Questions
Common questions about V2CrO6, answered from cross-validated data.
What is V2CrO6?
V2CrO6 is a metastable, semiconducting spinel-type oxide utilized in advanced catalytic research.
What is V2CrO6 used for?
What is the band gap of V2CrO6?
Is V2CrO6 a metal, semiconductor, or insulator?
Is V2CrO6 thermodynamically stable?
What is the crystal structure of V2CrO6?
What is the density of V2CrO6?
How many polymorphs of V2CrO6 are known?
What elements does V2CrO6 contain?
Where does the data for V2CrO6 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse landscape of spinel and related oxide catalysts, V2CrO6 occupies a distinct niche compared to highly stable insulators like MgAl2O4 or simple binary oxides such as ZnO and NiO. While materials like LaMnO3 or LaNiO3 are widely utilized for their robust perovskite-based catalytic activity, V2CrO6 provides a different structural framework that leverages the interplay between vanadium and chromium to potentially lower activation barriers in specific catalytic cycles.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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