Al4Cs4O16Si4
Al4Cs4O16Si4 is a stable, insulating aluminosilicate framework material containing cesium that is studied for its unique structural properties.
About Al4Cs4O16Si4
Al4Cs4O16Si4 is a complex aluminosilicate characterized by its robust framework structure. As a thermodynamically stable member of the zeolite family, it maintains a wide-gap insulating electronic profile, making it an intriguing candidate for structural and catalytic investigations.
Its significance lies in its structural integrity and the specific arrangement of aluminum, silicon, and cesium within its lattice. Researchers utilize this compound to better understand the stability and behavior of alkali-metal-doped aluminosilicates in various chemical environments.
Key Properties
Cross-validated computational properties for Al4Cs4O16Si4, 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 Al4Cs4O16Si4, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 4.47 | 0.0000 | -7.454 | 3.50 |
| Pnma (No. 62) | orthorhombic | 4.46 | 0.0002 | -7.454 | 3.52 |
| No. 0 | unknown | — | — | — | 0.92 |
| P1 (No. 1) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
| Pc (No. 7) | — | — | — | — | — |
Applications
Where Al4Cs4O16Si4 is used.
Frequently Asked Questions
Common questions about Al4Cs4O16Si4, answered from cross-validated data.
What is Al4Cs4O16Si4?
Al4Cs4O16Si4 is a stable, insulating aluminosilicate framework material containing cesium that is studied for its unique structural properties.
What is Al4Cs4O16Si4 used for?
What is the band gap of Al4Cs4O16Si4?
Is Al4Cs4O16Si4 a metal, semiconductor, or insulator?
Is Al4Cs4O16Si4 thermodynamically stable?
What is the crystal structure of Al4Cs4O16Si4?
What is the density of Al4Cs4O16Si4?
How many polymorphs of Al4Cs4O16Si4 are known?
What elements does Al4Cs4O16Si4 contain?
Where does the data for Al4Cs4O16Si4 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the diverse class of aluminosilicates, Al4Cs4O16Si4 stands out due to the inclusion of large cesium cations within its framework, distinguishing it from more common alkali-based structures like KAlSiO4 or NaAlSi3O8. While minerals like Al2SiO5 exist as dense, naturally occurring phases, this compound represents a more specialized, synthetic-leaning framework architecture that emphasizes the influence of large interstitial cations on overall lattice stability.
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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