AlV2O4
AlV2O4 is a thermodynamically stable, semiconducting spinel oxide used in catalytic research.
About AlV2O4
AlV2O4 is a complex spinel oxide that maintains a stable position on the convex hull, indicating significant structural integrity. As a semiconducting material, it offers unique electronic properties that are highly valued in the development of efficient catalytic systems.
Its structural versatility is highlighted by the numerous reported configurations across major materials databases. This makes it a compelling candidate for researchers aiming to optimize surface reactivity and electronic transport in industrial chemical processes.
Key Properties
Cross-validated computational properties for AlV2O4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AlV2O4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AlV2O4, 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 | 0.27 | 0.0000 | -8.723 | 4.34 |
| R-3m (No. 166) | trigonal | 0.21 | 0.0000 | -2.673 | — |
| — | — | 0.00 | 0.0000 | -2.759 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.0000 | -11.235 | 4.56 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0071 | -2.666 | — |
| C2/c (No. 15) | monoclinic | 0.63 | 0.0081 | -8.715 | 4.34 |
| C2 (No. 5) | monoclinic | 0.57 | 0.0087 | -8.714 | 4.33 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0181 | -2.655 | — |
| R3m (No. 160) | trigonal | 0.00 | 0.0220 | -8.701 | 4.32 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0255 | -2.648 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0255 | -2.648 | — |
| C2/m (No. 12) | monoclinic | 0.04 | 0.0303 | -8.693 | 4.31 |
Applications
Where AlV2O4 is used.
Frequently Asked Questions
Common questions about AlV2O4, answered from cross-validated data.
What is AlV2O4?
AlV2O4 is a thermodynamically stable, semiconducting spinel oxide used in catalytic research.
What is AlV2O4 used for?
What is the band gap of AlV2O4?
Is AlV2O4 a metal, semiconductor, or insulator?
Is AlV2O4 thermodynamically stable?
What is the crystal structure of AlV2O4?
What is the density of AlV2O4?
How many polymorphs of AlV2O4 are known?
What elements does AlV2O4 contain?
Where does the data for AlV2O4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse family of spinel oxides and related transition metal oxides, AlV2O4 occupies a distinct niche compared to simpler binary oxides like ZnO or NiO. While materials such as MgAl2O4 serve as classic structural benchmarks, AlV2O4 leverages its specific vanadium-based electronic character to provide different catalytic pathways than the more common aluminates or perovskite-structured oxides like LaAlO3.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze AlV2O4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →