Al1O3Si1
Al1O3Si1 has a DFT band gap of 0.36–3.03 eV across 10 reported structures in 8 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al1O3Si1, 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.
0.36–3.03 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.
0.091 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 8 space groups
Reference
Frequently Asked Questions
Common questions about Al1O3Si1, answered from cross-validated data.
What is the band gap of Al1O3Si1?
Al1O3Si1 has a DFT-computed band gap of 0.36–3.03 eV across 10 reported structures.
More questions
Is Al1O3Si1 a metal, semiconductor, or insulator?
With a wide band gap up to 3.03 eV it is an insulator / wide-band-gap material.
Is Al1O3Si1 thermodynamically stable?
Al1O3Si1 has a lowest energy above hull of 0.091 eV/atom (metastable).
How many polymorphs of Al1O3Si1 are known?
10 structures of Al1O3Si1 are reported across 3 databases, spanning 8 distinct space groups.
What elements does Al1O3Si1 contain?
Al1O3Si1 contains Al, O, and Si (3 elements).
Where does the data for Al1O3Si1 come from?
Al1O3Si1 data is cross-referenced from latticegraph.
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Related Compounds
Other Aluminosilicates and Zeolite Frameworks in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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