Al2As2
Al2As2 has a DFT band gap of 1.19–1.69 eV across 43 reported structures in 18 space groups. Cross-validated across 5 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al2As2, 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.
1.19–1.69 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
43
5 databases, 18 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Al2As2.
Sol Gel
Procedure available · ceder_sol_gel
Reference
Frequently Asked Questions
Common questions about Al2As2, answered from cross-validated data.
What is the band gap of Al2As2?
Al2As2 has a DFT-computed band gap of 1.19–1.69 eV across 43 reported structures.
More questions
Is Al2As2 a metal, semiconductor, or insulator?
With a band gap up to 1.69 eV it is a semiconductor.
Is Al2As2 thermodynamically stable?
Yes — Al2As2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Al2As2 are known?
43 structures of Al2As2 are reported across 5 databases, spanning 18 distinct space groups.
How is Al2As2 synthesized?
Literature-reported routes for Al2As2 include sol gel.
What elements does Al2As2 contain?
Al2As2 contains Al and As (2 elements).
Where does the data for Al2As2 come from?
Al2As2 data is cross-referenced from latticegraph.
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Related Compounds
Other III-V Semiconductors in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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