AlWO4
Aluminum tungstate is a crystalline inorganic compound composed of aluminum, tungsten, and oxygen. It is primarily studied for its potential utility in advanced ceramic materials and as a precursor for specialized catalysts.
Overview
Key Properties
Cross-validated computational properties for AlWO4, 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.
2.25–2.98 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AlWO4, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 2.98 | 0.0000 | -8.765 | 7.67 |
| C2/m (No. 12) | monoclinic | 2.25 | 0.0507 | -8.715 | 7.34 |
| Cmmm (No. 65) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 7.19 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.62 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.23 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 7.70 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 8.30 |
Uses
Applications
Where AlWO4 is used.
Ceramic material researchCatalysis developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about AlWO4, answered from cross-validated data.
What is AlWO4?
Aluminum tungstate is a crystalline inorganic compound composed of aluminum, tungsten, and oxygen. It is primarily studied for its potential utility in advanced ceramic materials and as a precursor for specialized catalysts.
More questions
What is AlWO4 used for?
AlWO4 is used in ceramic material research, catalysis development, and solid-state chemistry studies.
What is the band gap of AlWO4?
AlWO4 has a DFT-computed band gap of 2.25–2.98 eV across 11 reported structures.
Is AlWO4 a metal, semiconductor, or insulator?
With a band gap up to 2.98 eV it is a semiconductor.
Is AlWO4 thermodynamically stable?
Yes — AlWO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AlWO4?
The lowest-energy reported polymorph of AlWO4 is orthorhombic symmetry, space group Cmmm (No. 65).
What is the density of AlWO4?
The computed density of the ground-state structure of AlWO4 is 7.67 g/cm³.
How many polymorphs of AlWO4 are known?
11 structures of AlWO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does AlWO4 contain?
AlWO4 contains Al, O, and W (3 elements).
Where does the data for AlWO4 come from?
AlWO4 data is cross-referenced from materials_project, jarvis, mpaloe.
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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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