AlVO3
Aluminum vanadate is a mixed metal oxide compound that is primarily investigated for its potential in catalytic processes and as a precursor for advanced ceramic materials. Its structural properties make it a subject of interest in solid-state chemistry research regarding ion transport and material stability.
Key Properties
Cross-validated computational properties for AlVO3, 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 AlVO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.57 | 0.0198 | -8.495 | 4.49 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0864 | -8.429 | 4.53 |
| Cm (No. 8) | monoclinic | 1.17 | 0.0887 | -8.426 | 3.88 |
| Pnma (No. 62) | orthorhombic | 1.68 | 0.1516 | -8.364 | 4.18 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.3276 | -8.188 | 3.97 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.7093 | -7.806 | 4.33 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.2286 | -7.287 | 3.74 |
| P1 (No. 1) | triclinic | 0.00 | 2.0834 | -6.432 | 3.88 |
| Pnma (No. 62) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 4.50 |
| Pnma (No. 62) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 4.31 |
Applications
Where AlVO3 is used.
Frequently Asked Questions
Common questions about AlVO3, answered from cross-validated data.
What is AlVO3?
Aluminum vanadate is a mixed metal oxide compound that is primarily investigated for its potential in catalytic processes and as a precursor for advanced ceramic materials. Its structural properties make it a subject of interest in solid-state chemistry research regarding ion transport and material stability.
What is AlVO3 used for?
What is the band gap of AlVO3?
Is AlVO3 a metal, semiconductor, or insulator?
Is AlVO3 thermodynamically stable?
What is the crystal structure of AlVO3?
What is the density of AlVO3?
How many polymorphs of AlVO3 are known?
What elements does AlVO3 contain?
Where does the data for AlVO3 come from?
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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