V2Cu3O8
V2Cu3O8 is a semiconducting ternary oxide catalyst that shows promise for synthesis due to its favorable thermodynamic stability.
About V2Cu3O8
V2Cu3O8 is a semiconducting oxide that belongs to the broader family of spinel-related catalytic materials. Its electronic structure and near-hull thermodynamic stability suggest it is a viable candidate for synthesis and subsequent functional testing in chemical processes.
This compound is of significant interest to materials scientists investigating complex transition metal oxides. By leveraging the interplay between copper and vanadium, it offers a unique platform for developing active sites in heterogeneous catalysis, where stable oxide frameworks are essential for long-term performance.
Key Properties
Cross-validated computational properties for V2Cu3O8, 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 V2Cu3O8, 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 | 0.12 | 0.0207 | -7.044 | 4.13 |
| P21/c (No. 14) | monoclinic | 0.05 | 0.0268 | -7.038 | 4.38 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.13 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.25 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.38 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.76 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.52 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where V2Cu3O8 is used.
Frequently Asked Questions
Common questions about V2Cu3O8, answered from cross-validated data.
What is V2Cu3O8?
V2Cu3O8 is a semiconducting ternary oxide catalyst that shows promise for synthesis due to its favorable thermodynamic stability.
What is V2Cu3O8 used for?
What is the band gap of V2Cu3O8?
Is V2Cu3O8 a metal, semiconductor, or insulator?
Is V2Cu3O8 thermodynamically stable?
What is the crystal structure of V2Cu3O8?
What is the density of V2Cu3O8?
How many polymorphs of V2Cu3O8 are known?
What elements does V2Cu3O8 contain?
Where does the data for V2Cu3O8 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse landscape of spinel and transition metal oxide catalysts, V2Cu3O8 occupies a distinct niche compared to simpler binary oxides like CuO or ZnO. While materials such as LaMnO3 or MgAl2O4 are well-established benchmarks for structural stability and catalytic activity, V2Cu3O8 represents a more complex ternary arrangement that provides tunable electronic properties for specialized catalytic pathways.
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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