Al4O10Si2
Al4O10Si2 has a DFT band gap of 1.31–5.75 eV across 23 reported structures in 7 space groups; its lowest-energy polymorph is triclinic (P-1 (No. 2)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al4O10Si2, 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.
1.31–5.75 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al4O10Si2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 5.40 | 0.0000 | -8.084 | 3.68 |
| Pnnm (No. 58) | orthorhombic | 4.84 | 0.0020 | -8.082 | 3.16 |
| Pnma (No. 62) | orthorhombic | 4.99 | 0.0047 | -8.079 | 3.25 |
| Pm (No. 6) | monoclinic | 4.11 | 0.0544 | -8.029 | 3.02 |
| C2/c (No. 15) | monoclinic | 5.75 | 0.1019 | -7.982 | 3.87 |
| Cmcm (No. 63) | orthorhombic | 5.46 | 0.1108 | -7.973 | 3.54 |
| P-1 (No. 2) | triclinic | 4.07 | 0.2568 | -7.827 | 2.99 |
| P-1 (No. 2) | triclinic | 1.31 | 0.8496 | -7.234 | 1.71 |
| No. 0 | unknown | — | — | — | 1.83 |
| C2/c (No. 15) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.83 |
| No. 0 | unknown | — | — | — | 1.83 |
Reference
Frequently Asked Questions
Common questions about Al4O10Si2, answered from cross-validated data.
What is the band gap of Al4O10Si2?
Al4O10Si2 has a DFT-computed band gap of 1.31–5.75 eV across 23 reported structures.
More questions
Is Al4O10Si2 a metal, semiconductor, or insulator?
With a wide band gap up to 5.75 eV it is an insulator / wide-band-gap material.
Is Al4O10Si2 thermodynamically stable?
Yes — Al4O10Si2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al4O10Si2?
The lowest-energy reported polymorph of Al4O10Si2 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Al4O10Si2?
The computed density of the ground-state structure of Al4O10Si2 is 3.68 g/cm³.
How many polymorphs of Al4O10Si2 are known?
23 structures of Al4O10Si2 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Al4O10Si2 contain?
Al4O10Si2 contains Al, O, and Si (3 elements).
Where does the data for Al4O10Si2 come from?
Al4O10Si2 data is cross-referenced from materials_project, cod, aflow.
Explore
Related Compounds
Other Aluminosilicates and Zeolite Frameworks in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Al4O10Si2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →