Al2K2O8Si2
Al2K2O8Si2 has a DFT band gap of 2.69–4.76 eV across 25 reported structures in 6 space groups; its lowest-energy polymorph is hexagonal (P63 (No. 173)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al2K2O8Si2, 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.
2.69–4.76 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.
25
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al2K2O8Si2, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 4.70 | 0.0000 | -7.485 | 2.54 |
| P21 (No. 4) | monoclinic | 4.76 | 0.0013 | -7.484 | 2.62 |
| P31c (No. 159) | trigonal | 4.50 | 0.0018 | -7.483 | 2.50 |
| P63 (No. 173) | hexagonal | 4.50 | 0.0022 | -7.483 | 2.50 |
| P1 (No. 1) | triclinic | 4.52 | 0.0025 | -7.483 | 2.50 |
| P3 (No. 143) | trigonal | 2.69 | 0.3563 | -7.129 | 2.19 |
| No. 0 | unknown | — | — | — | 0.56 |
| No. 0 | unknown | — | — | — | 0.56 |
| No. 0 | unknown | — | — | — | 0.56 |
| No. 0 | unknown | — | — | — | 0.56 |
| No. 0 | unknown | — | — | — | 0.56 |
| No. 0 | unknown | — | — | — | 0.55 |
Reference
Frequently Asked Questions
Common questions about Al2K2O8Si2, answered from cross-validated data.
What is the band gap of Al2K2O8Si2?
Al2K2O8Si2 has a DFT-computed band gap of 2.69–4.76 eV across 25 reported structures.
More questions
Is Al2K2O8Si2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.76 eV it is an insulator / wide-band-gap material.
Is Al2K2O8Si2 thermodynamically stable?
Yes — Al2K2O8Si2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al2K2O8Si2?
The lowest-energy reported polymorph of Al2K2O8Si2 is hexagonal symmetry, space group P63 (No. 173).
What is the density of Al2K2O8Si2?
The computed density of the ground-state structure of Al2K2O8Si2 is 2.54 g/cm³.
How many polymorphs of Al2K2O8Si2 are known?
25 structures of Al2K2O8Si2 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Al2K2O8Si2 contain?
Al2K2O8Si2 contains Al, K, O, and Si (4 elements).
Where does the data for Al2K2O8Si2 come from?
Al2K2O8Si2 data is cross-referenced from materials_project, cod, aflow.
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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).
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