H4Al2O9Si2
H4Al2O9Si2 has a DFT band gap of 4.23–4.99 eV across 19 reported structures in 4 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for H4Al2O9Si2, 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.
4.23–4.99 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.
0.018 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
19
3 databases, 4 space groups
Reference
Frequently Asked Questions
Common questions about H4Al2O9Si2, answered from cross-validated data.
What is the band gap of H4Al2O9Si2?
H4Al2O9Si2 has a DFT-computed band gap of 4.23–4.99 eV across 19 reported structures.
More questions
Is H4Al2O9Si2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.99 eV it is an insulator / wide-band-gap material.
Is H4Al2O9Si2 thermodynamically stable?
H4Al2O9Si2 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
How many polymorphs of H4Al2O9Si2 are known?
19 structures of H4Al2O9Si2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does H4Al2O9Si2 contain?
H4Al2O9Si2 contains Al, H, O, and Si (4 elements).
Where does the data for H4Al2O9Si2 come from?
H4Al2O9Si2 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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