Al16Ca8O48Si8
Al16Ca8O48Si8 has a DFT band gap of 0.12–4.62 eV across 13 reported structures in 7 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al16Ca8O48Si8, 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.
0.12–4.62 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.
0.017 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.
13
3 databases, 7 space groups
Reference
Frequently Asked Questions
Common questions about Al16Ca8O48Si8, answered from cross-validated data.
What is the band gap of Al16Ca8O48Si8?
Al16Ca8O48Si8 has a DFT-computed band gap of 0.12–4.62 eV across 13 reported structures.
More questions
Is Al16Ca8O48Si8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.62 eV it is an insulator / wide-band-gap material.
Is Al16Ca8O48Si8 thermodynamically stable?
Al16Ca8O48Si8 has a lowest energy above hull of 0.017 eV/atom (near hull (likely stable)).
How many polymorphs of Al16Ca8O48Si8 are known?
13 structures of Al16Ca8O48Si8 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Al16Ca8O48Si8 contain?
Al16Ca8O48Si8 contains Al, Ca, O, and Si (4 elements).
Where does the data for Al16Ca8O48Si8 come from?
Al16Ca8O48Si8 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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