Al8Na8O32Si8
Al8Na8O32Si8 has a DFT band gap of 2.80–4.80 eV across 12 reported structures in 9 space groups; its lowest-energy polymorph is orthorhombic (Pca21 (No. 29)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al8Na8O32Si8, aggregated across 4 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.
2.80–4.80 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
4 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al8Na8O32Si8, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 4.71 | 0.0000 | -7.477 | 2.58 |
| P61 (No. 169) | hexagonal | 4.54 | 0.0073 | -7.469 | 2.56 |
| P213 (No. 198) | cubic | 4.48 | 0.0117 | -7.465 | 2.41 |
| P1 (No. 1) | triclinic | 4.35 | 0.0142 | -7.462 | 2.55 |
| P63 (No. 173) | hexagonal | 4.28 | 0.0145 | -7.462 | 2.51 |
| R3c (No. 161) | trigonal | 3.81 | 0.0262 | -7.450 | 1.77 |
| Pmc21 (No. 26) | orthorhombic | 4.80 | 0.1953 | -7.281 | 3.80 |
| P63 (No. 173) | hexagonal | 2.80 | 0.8248 | -6.652 | 2.36 |
| P21 (No. 4) | monoclinic | 0.00 | 4.2524 | -3.224 | 2.38 |
| P63 (No. 173) | — | — | — | — | — |
| — | — | — | — | — | 2.45 |
| No. 0 | unknown | — | — | — | 0.84 |
Reference
Frequently Asked Questions
Common questions about Al8Na8O32Si8, answered from cross-validated data.
What is the band gap of Al8Na8O32Si8?
Al8Na8O32Si8 has a DFT-computed band gap of 2.80–4.80 eV across 12 reported structures.
More questions
Is Al8Na8O32Si8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.80 eV it is an insulator / wide-band-gap material.
Is Al8Na8O32Si8 thermodynamically stable?
Yes — Al8Na8O32Si8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al8Na8O32Si8?
The lowest-energy reported polymorph of Al8Na8O32Si8 is orthorhombic symmetry, space group Pca21 (No. 29).
What is the density of Al8Na8O32Si8?
The computed density of the ground-state structure of Al8Na8O32Si8 is 2.58 g/cm³.
How many polymorphs of Al8Na8O32Si8 are known?
12 structures of Al8Na8O32Si8 are reported across 4 databases, spanning 9 distinct space groups.
What elements does Al8Na8O32Si8 contain?
Al8Na8O32Si8 contains Al, Na, O, and Si (4 elements).
Where does the data for Al8Na8O32Si8 come from?
Al8Na8O32Si8 data is cross-referenced from materials_project, aflow, omat24, cod.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze Al8Na8O32Si8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →