Al6I2Na8O24Si6
Sodalite · Na8Al6Si6O24I2
Al6I2Na8O24Si6 is a stable, insulating aluminosilicate framework mineral known for its cage-like structure that can host guest ions.
About Sodalite
Al6I2Na8O24Si6 is a member of the sodalite group within the broader aluminosilicate and zeolite framework family. Characterized by its highly ordered crystalline structure, this compound exhibits insulating electronic behavior and maintains robust thermodynamic stability, making it a reliable subject for structural studies in mineralogy and materials science.
This material serves as a critical model for understanding cage-like frameworks in zeolitic structures. Its ability to incorporate halide ions within its framework cavities allows for precise tuning of its chemical properties, which is essential for its role in specialized catalytic and ion-exchange applications.
Key Properties
Cross-validated computational properties for Sodalite, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Al6I2Na8O24Si6, 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-43n (No. 218) | cubic | 4.15 | 0.0000 | -7.106 | 2.53 |
| P-43n (No. 218) | — | — | — | — | — |
| — | — | — | — | — | 2.06 |
| P-43n (No. 218) | — | — | — | — | — |
| — | — | — | — | — | 2.36 |
Applications
Where Sodalite is used.
Frequently Asked Questions
Common questions about Sodalite, answered from cross-validated data.
What is Al6I2Na8O24Si6?
Al6I2Na8O24Si6 is a stable, insulating aluminosilicate framework mineral known for its cage-like structure that can host guest ions.
What is Al6I2Na8O24Si6 used for?
What is the band gap of Al6I2Na8O24Si6?
Is Al6I2Na8O24Si6 a metal, semiconductor, or insulator?
Is Al6I2Na8O24Si6 thermodynamically stable?
What is the crystal structure of Al6I2Na8O24Si6?
What is the density of Al6I2Na8O24Si6?
How many polymorphs of Al6I2Na8O24Si6 are known?
What elements does Al6I2Na8O24Si6 contain?
Where does the data for Al6I2Na8O24Si6 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the diverse class of aluminosilicates, Al6I2Na8O24Si6 is distinguished by its unique cage-like architecture compared to the more common chain or sheet structures found in minerals like Al2SiO5 or the framework variations seen in NaAlSi3O8. While many members of this class, such as LiAlSiO4 or KAlSiO4, are primarily valued for their geological abundance and thermal resilience, this sodalite-type structure is specifically noted for its distinct ability to host guest ions within its internal voids.
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).
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