AlMoO3
AlMoO3 is a semiconducting, metastable transition metal oxide that is studied for its potential catalytic properties within the spinel oxide family.
About AlMoO3
AlMoO3 is a complex oxide belonging to the spinel-related family of materials. As a semiconducting compound, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal oxide catalysts. Its structural configuration is characterized by a high degree of complexity, reflected in the multiple distinct structural arrangements documented in materials databases.
Despite its classification, AlMoO3 is considered thermodynamically unstable, as it sits above the stability hull. This energetic status suggests that while it can be synthesized or observed under specific conditions, it remains a challenging target for applications requiring long-term structural integrity compared to more robust oxide phases.
Key Properties
Cross-validated computational properties for AlMoO3, aggregated across 4 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 AlMoO3. 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 AlMoO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.42 | 0.1763 | -8.334 | 5.10 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.4531 | -2.174 | — |
| P63cm (No. 185) | hexagonal | 0.73 | 0.4636 | -8.046 | 5.31 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.5802 | -7.930 | 4.96 |
| — | — | 0.00 | 0.6233 | -1.979 | — |
| — | — | 0.00 | 0.6371 | -1.965 | — |
| — | — | 0.00 | 0.6608 | -1.941 | — |
| — | — | 0.00 | 0.8839 | -1.718 | — |
| — | — | 0.00 | 0.8847 | -1.717 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 1.0255 | -1.601 | — |
| — | — | 0.00 | 1.0285 | -1.574 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 1.2198 | -7.290 | 4.41 |
Applications
Where AlMoO3 is used.
Frequently Asked Questions
Common questions about AlMoO3, answered from cross-validated data.
What is AlMoO3?
AlMoO3 is a semiconducting, metastable transition metal oxide that is studied for its potential catalytic properties within the spinel oxide family.
What is AlMoO3 used for?
What is the band gap of AlMoO3?
Is AlMoO3 a metal, semiconductor, or insulator?
Is AlMoO3 thermodynamically stable?
What is the crystal structure of AlMoO3?
What is the density of AlMoO3?
How many polymorphs of AlMoO3 are known?
What elements does AlMoO3 contain?
Where does the data for AlMoO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broader class of spinel and transition metal oxides, AlMoO3 stands out as a more exotic and less stable member compared to highly robust and widely utilized materials like MgAl2O4 or Al2O3. While standard oxides such as NiO or ZnO are staples in industrial catalysis due to their well-defined stability, AlMoO3 represents a more specialized, metastable phase that requires careful synthesis, contrasting with the thermodynamic reliability of perovskites 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.
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