VCr2O4
VCr2O4 is a metastable, semiconducting spinel oxide used in specialized catalytic research.
About VCr2O4
VCr2O4 is a complex spinel oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration within the broader family of spinel-structured materials, attracting interest for its specific catalytic potential and structural versatility.
This compound is primarily studied for its role in specialized catalytic applications where its electronic properties can be leveraged. Its existence across multiple reported structures highlights its significance in fundamental materials science research, providing insights into the stability and behavior of transition metal oxides.
Key Properties
Cross-validated computational properties for VCr2O4, 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 VCr2O4, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.10 | 0.0826 | -9.114 | 4.59 |
| Cm (No. 8) | monoclinic | 0.21 | 0.0968 | -9.100 | 4.53 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.1007 | -9.096 | 4.63 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.63 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.06 |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.85 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
Applications
Where VCr2O4 is used.
Frequently Asked Questions
Common questions about VCr2O4, answered from cross-validated data.
What is VCr2O4?
VCr2O4 is a metastable, semiconducting spinel oxide used in specialized catalytic research.
What is VCr2O4 used for?
What is the band gap of VCr2O4?
Is VCr2O4 a metal, semiconductor, or insulator?
Is VCr2O4 thermodynamically stable?
What is the crystal structure of VCr2O4?
What is the density of VCr2O4?
How many polymorphs of VCr2O4 are known?
What elements does VCr2O4 contain?
Where does the data for VCr2O4 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized MgAl2O4 spinel, VCr2O4 exists as a metastable phase, making its synthesis and structural characterization more nuanced. While simple binary oxides like NiO or ZnO are staples in industrial catalysis, VCr2O4 offers a more complex electronic environment, positioning it as a specialized candidate for research compared to the more common perovskite-structured oxides like LaMnO3 or LaAlO3.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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