Al2K2O16Si6
Al2K2O16Si6 has a DFT band gap of 4.75–5.46 eV across 9 reported structures in 3 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 Al2K2O16Si6, 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.
4.75–5.46 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.
9
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al2K2O16Si6, 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 | 4.92 | 0.0000 | -7.917 | 2.46 |
| P-1 (No. 2) | triclinic | 4.93 | 0.0042 | -7.913 | 2.45 |
| C2 (No. 5) | monoclinic | 4.75 | 0.0069 | -7.910 | 2.45 |
| Cm (No. 8) | monoclinic | 5.46 | 0.1890 | -7.728 | 3.75 |
| — | — | — | — | — | 1.42 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about Al2K2O16Si6, answered from cross-validated data.
What is the band gap of Al2K2O16Si6?
Al2K2O16Si6 has a DFT-computed band gap of 4.75–5.46 eV across 9 reported structures.
More questions
Is Al2K2O16Si6 a metal, semiconductor, or insulator?
With a wide band gap up to 5.46 eV it is an insulator / wide-band-gap material.
Is Al2K2O16Si6 thermodynamically stable?
Yes — Al2K2O16Si6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al2K2O16Si6?
The lowest-energy reported polymorph of Al2K2O16Si6 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Al2K2O16Si6?
The computed density of the ground-state structure of Al2K2O16Si6 is 2.46 g/cm³.
How many polymorphs of Al2K2O16Si6 are known?
9 structures of Al2K2O16Si6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Al2K2O16Si6 contain?
Al2K2O16Si6 contains Al, K, O, and Si (4 elements).
Where does the data for Al2K2O16Si6 come from?
Al2K2O16Si6 data is cross-referenced from materials_project, omat24, 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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