Al32O48
Al32O48 has a DFT band gap of 0.05–5.85 eV across 92 reported structures in 25 space groups; its lowest-energy polymorph is trigonal (R-3c (No. 167)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al32O48, aggregated across 2 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.
0.05–5.85 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
92
2 databases, 25 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al32O48, 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-3c (No. 167) | trigonal | 5.85 | 0.0000 | -7.894 | 3.87 |
| C2/m (No. 12) | monoclinic | 4.46 | 0.0172 | -7.876 | 3.63 |
| Pna21 (No. 33) | orthorhombic | 4.83 | 0.0208 | -7.873 | 3.78 |
| Ia-3 (No. 206) | cubic | 5.51 | 0.0350 | -7.859 | 3.87 |
| P2/c (No. 13) | monoclinic | 4.31 | 0.0351 | -7.858 | 3.57 |
| C2/c (No. 15) | monoclinic | 4.14 | 0.0395 | -7.854 | 3.70 |
| Pbca (No. 61) | orthorhombic | 5.82 | 0.0463 | -7.847 | 4.04 |
| C2/m (No. 12) | monoclinic | 3.78 | 0.0491 | -7.844 | 3.69 |
| Cm (No. 8) | monoclinic | 3.20 | 0.0571 | -7.836 | 3.56 |
| R-3 (No. 148) | trigonal | 5.67 | 0.0747 | -7.819 | 3.81 |
| P-31c (No. 163) | trigonal | 5.49 | 0.0819 | -7.812 | 3.80 |
| C2/m (No. 12) | monoclinic | 4.21 | 0.0849 | -7.809 | 3.09 |
Reference
Frequently Asked Questions
Common questions about Al32O48, answered from cross-validated data.
What is the band gap of Al32O48?
Al32O48 has a DFT-computed band gap of 0.05–5.85 eV across 92 reported structures.
More questions
Is Al32O48 a metal, semiconductor, or insulator?
With a wide band gap up to 5.85 eV it is an insulator / wide-band-gap material.
Is Al32O48 thermodynamically stable?
Yes — Al32O48 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al32O48?
The lowest-energy reported polymorph of Al32O48 is trigonal symmetry, space group R-3c (No. 167).
What is the density of Al32O48?
The computed density of the ground-state structure of Al32O48 is 3.87 g/cm³.
How many polymorphs of Al32O48 are known?
92 structures of Al32O48 are reported across 2 databases, spanning 25 distinct space groups.
What elements does Al32O48 contain?
Al32O48 contains Al and O (2 elements).
Where does the data for Al32O48 come from?
Al32O48 data is cross-referenced from materials_project.
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).
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