Al3As
Aluminum arsenide is a semiconductor material composed of aluminum and arsenic. It is primarily studied for its potential utility in specialized electronic and optoelectronic devices.
Overview
Key Properties
Cross-validated computational properties for Al3As, aggregated across 5 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.
Metallic / not reported
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.
0.364 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
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
5 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al3As, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.3636 | -8.676 | 3.69 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.82 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.70 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.50 |
| — | — | — | — | — | 3.68 |
| P1 (No. 1) | Triclinic | — | — | — | 2.44 |
| P1 (No. 1) | Triclinic | — | — | — | 2.52 |
| P1 (No. 1) | Triclinic | — | — | — | 2.64 |
| — | — | — | — | — | 3.68 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.11 |
Uses
Applications
Where Al3As is used.
Semiconductor researchOptoelectronic device development
Reference
Frequently Asked Questions
Common questions about Al3As, answered from cross-validated data.
What is Al3As?
Aluminum arsenide is a semiconductor material composed of aluminum and arsenic. It is primarily studied for its potential utility in specialized electronic and optoelectronic devices.
More questions
What is Al3As used for?
Al3As is used in semiconductor research and optoelectronic device development.
What is the band gap of Al3As?
Al3As is computed to be metallic (no band gap) in the reported DFT structures.
Is Al3As a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al3As thermodynamically stable?
Al3As has a lowest energy above hull of 0.364 eV/atom (above hull).
What is the crystal structure of Al3As?
The lowest-energy reported polymorph of Al3As is cubic symmetry, space group Pm-3m (No. 221).
What is the density of Al3As?
The computed density of the ground-state structure of Al3As is 3.69 g/cm³.
How many polymorphs of Al3As are known?
23 structures of Al3As are reported across 5 databases, spanning 6 distinct space groups.
What elements does Al3As contain?
Al3As contains Al and As (2 elements).
Where does the data for Al3As come from?
Al3As data is cross-referenced from materials_project, mpaloe, jarvis, omat24, nomad.
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Related Compounds
Other III-V Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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