V3CrO8
V3CrO8 is a metastable, semiconducting spinel oxide catalyst utilized in advanced chemical research.
About V3CrO8
V3CrO8 is a complex spinel oxide that functions as a semiconducting material. Its unique electronic structure and metastable nature make it a subject of interest for researchers exploring tunable catalytic performance in inorganic systems.
This compound is primarily investigated for its role in specialized catalytic applications. Its structural flexibility within the spinel framework allows for the potential optimization of surface reactions, providing a distinct alternative to more conventional, highly stable oxide catalysts.
Key Properties
Cross-validated computational properties for V3CrO8, 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 V3CrO8, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.04 | 0.0631 | -8.754 | 3.83 |
| P-1 (No. 2) | triclinic | 1.52 | 0.1038 | -8.713 | 3.82 |
| C2/m (No. 12) | monoclinic | 0.95 | 0.1985 | -8.618 | 3.75 |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.75 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.20 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.92 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.83 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.31 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.02 |
Applications
Where V3CrO8 is used.
Frequently Asked Questions
Common questions about V3CrO8, answered from cross-validated data.
What is V3CrO8?
V3CrO8 is a metastable, semiconducting spinel oxide catalyst utilized in advanced chemical research.
What is V3CrO8 used for?
What is the band gap of V3CrO8?
Is V3CrO8 a metal, semiconductor, or insulator?
Is V3CrO8 thermodynamically stable?
What is the crystal structure of V3CrO8?
What is the density of V3CrO8?
How many polymorphs of V3CrO8 are known?
What elements does V3CrO8 contain?
Where does the data for V3CrO8 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized MgAl2O4 or the simple binary oxides like ZnO and NiO, V3CrO8 exists in a metastable state that offers unique reactivity profiles. While perovskite-structured materials such as LaMnO3 or LaAlO3 are often favored for their structural robustness, V3CrO8 provides a different coordination environment that can be exploited for specific catalytic pathways where standard oxides might be less effective.
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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