LiAlSiH2O5
LiAlSiH2O5 has a DFT band gap of 1.72–4.88 eV across 14 reported structures in 2 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for LiAlSiH2O5, 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.
1.72–4.88 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.
0.013 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.
14
3 databases, 2 space groups
Reference
Frequently Asked Questions
Common questions about LiAlSiH2O5, answered from cross-validated data.
What is the band gap of LiAlSiH2O5?
LiAlSiH2O5 has a DFT-computed band gap of 1.72–4.88 eV across 14 reported structures.
More questions
Is LiAlSiH2O5 a metal, semiconductor, or insulator?
With a wide band gap up to 4.88 eV it is an insulator / wide-band-gap material.
Is LiAlSiH2O5 thermodynamically stable?
LiAlSiH2O5 has a lowest energy above hull of 0.013 eV/atom (near hull (likely stable)).
How many polymorphs of LiAlSiH2O5 are known?
14 structures of LiAlSiH2O5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiAlSiH2O5 contain?
LiAlSiH2O5 contains Al, H, Li, O, and Si (5 elements).
Where does the data for LiAlSiH2O5 come from?
LiAlSiH2O5 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Aluminosilicates and Zeolite Frameworks in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze LiAlSiH2O5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →