V2Cu2O7
V2Cu2O7 is a thermodynamically stable semiconducting ternary oxide utilized in the study of spinel-based catalytic materials.
About V2Cu2O7
V2Cu2O7 is a semiconducting oxide that occupies a stable position within the chemical space of spinel-related materials. Its thermodynamic stability on the convex hull suggests a robust structural framework, making it a subject of interest for researchers investigating complex transition metal oxides. The material's electronic character is defined by its semiconducting nature, which is a critical factor for its performance in charge-transfer processes. As a member of the spinel oxide catalyst class, it holds potential for facilitating various redox reactions where electronic conductivity and structural integrity are paramount. Its ability to maintain a stable phase under relevant conditions allows for consistent behavior in experimental settings.
Key Properties
Cross-validated computational properties for V2Cu2O7, 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 V2Cu2O7, 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 | 0.00 | 0.0000 | -7.356 | 3.87 |
| Fdd2 (No. 43) | orthorhombic | 0.00 | 0.0067 | -7.349 | 4.01 |
| C2/c (No. 15) | monoclinic | 0.24 | 0.0194 | -7.336 | 3.86 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0376 | -7.318 | 4.05 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.2108 | -7.145 | 4.25 |
| No. 0 | unknown | — | — | — | 3.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.18 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.64 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.86 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.43 |
| No. 0 | unknown | — | — | — | 3.89 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.96 |
Applications
Where V2Cu2O7 is used.
Frequently Asked Questions
Common questions about V2Cu2O7, answered from cross-validated data.
What is V2Cu2O7?
V2Cu2O7 is a thermodynamically stable semiconducting ternary oxide utilized in the study of spinel-based catalytic materials.
What is V2Cu2O7 used for?
What is the band gap of V2Cu2O7?
Is V2Cu2O7 a metal, semiconductor, or insulator?
Is V2Cu2O7 thermodynamically stable?
What is the crystal structure of V2Cu2O7?
What is the density of V2Cu2O7?
How many polymorphs of V2Cu2O7 are known?
What elements does V2Cu2O7 contain?
Where does the data for V2Cu2O7 come from?
How It Compares
Within the spinel oxide catalysts class.
Compared to simple binary oxides like CuO or ZnO, V2Cu2O7 offers a more complex ternary framework that allows for greater tuning of its catalytic and electronic properties. While traditional spinels like MgAl2O4 are often studied for their structural stability, V2Cu2O7 distinguishes itself through its specific semiconducting electronic signature, positioning it as a more specialized candidate for catalytic applications than the more common, insulating binary oxides.
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.
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