VCuO4
VCuO4 is a metastable, semiconducting ternary oxide used primarily in the study of catalytic materials.
About VCuO4
VCuO4 is a semiconducting spinel oxide that exists in a metastable state. As a member of the complex oxide family, it offers unique structural arrangements that facilitate specific chemical interactions, making it an intriguing candidate for catalytic research and materials science development. Its electronic character allows for charge transfer processes that are essential in various oxidation-reduction environments. By leveraging its distinct lattice configuration, researchers investigate how this material can participate in surface-active reactions. It serves as a specialized component in studies focused on improving catalytic efficiency where traditional, more stable oxides might not provide the necessary surface reactivity.
Key Properties
Cross-validated computational properties for VCuO4, aggregated across 4 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 VCuO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.20 | 0.0455 | -7.141 | 4.18 |
| P21/c (No. 14) | monoclinic | 0.10 | 0.1309 | -7.055 | 3.72 |
| No. 0 | unknown | — | — | — | 0.26 |
| No. 0 | unknown | — | — | — | 0.26 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.18 |
| Imma (No. 74) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.51 |
| No. 0 | unknown | — | — | — | 0.27 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.58 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.30 |
| Imma (No. 74) | — | — | — | — | — |
Applications
Where VCuO4 is used.
Frequently Asked Questions
Common questions about VCuO4, answered from cross-validated data.
What is VCuO4?
VCuO4 is a metastable, semiconducting ternary oxide used primarily in the study of catalytic materials.
What is VCuO4 used for?
What is the band gap of VCuO4?
Is VCuO4 a metal, semiconductor, or insulator?
Is VCuO4 thermodynamically stable?
What is the crystal structure of VCuO4?
What is the density of VCuO4?
How many polymorphs of VCuO4 are known?
What elements does VCuO4 contain?
Where does the data for VCuO4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broad class of spinel and related oxides, VCuO4 occupies a distinct niche compared to highly stable insulators like MgAl2O4 or Al2O3. While materials such as CuO and NiO are frequently utilized for their straightforward binary oxide behavior, VCuO4 offers a more complex ternary framework. Its metastable nature distinguishes it from the more robust perovskite-structured members like LaMnO3 or LaAlO3, positioning it as a material of interest for applications requiring high surface activity rather than long-term structural equilibrium.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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