AlMoO3
This inorganic compound is a mixed metal oxide containing aluminum and molybdenum. It is primarily utilized in specialized materials research, particularly in the study of catalytic processes and solid-state chemistry.
Overview
Key Properties
Cross-validated computational properties for AlMoO3, 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.
0.73–1.42 eV
Range across DFT structures
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.
0.176 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 4 space groups
Crystallography
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 |
| 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 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.2198 | -7.290 | 4.41 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.10 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.65 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.36 |
Uses
Applications
Where AlMoO3 is used.
Catalysis researchSolid-state chemistry studiesMaterials science development
Reference
Frequently Asked Questions
Common questions about AlMoO3, answered from cross-validated data.
What is AlMoO3?
This inorganic compound is a mixed metal oxide containing aluminum and molybdenum. It is primarily utilized in specialized materials research, particularly in the study of catalytic processes and solid-state chemistry.
More questions
What is AlMoO3 used for?
AlMoO3 is used in catalysis research, solid-state chemistry studies, and materials science development.
What is the band gap of AlMoO3?
AlMoO3 has a DFT-computed band gap of 0.73–1.42 eV across 9 reported structures.
Is AlMoO3 a metal, semiconductor, or insulator?
With a band gap up to 1.42 eV it is a semiconductor.
Is AlMoO3 thermodynamically stable?
AlMoO3 has a lowest energy above hull of 0.176 eV/atom (above hull).
What is the crystal structure of AlMoO3?
The lowest-energy reported polymorph of AlMoO3 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of AlMoO3?
The computed density of the ground-state structure of AlMoO3 is 5.10 g/cm³.
How many polymorphs of AlMoO3 are known?
9 structures of AlMoO3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does AlMoO3 contain?
AlMoO3 contains Al, Mo, and O (3 elements).
Where does the data for AlMoO3 come from?
AlMoO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
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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