Al4O16Si4Tl4
Al4O16Si4Tl4 is a thermodynamically stable thallium-based aluminosilicate framework material that functions as an electrical insulator.
About Al4O16Si4Tl4
Al4O16Si4Tl4 is a complex aluminosilicate characterized by a robust framework structure. As a wide-gap insulator, it exhibits significant electronic stability, making it a subject of interest in structural chemistry and materials research.
This compound is noted for its thermodynamic stability, residing on the convex hull of its constituent elements. Its structural versatility is evidenced by multiple reported configurations, highlighting its role as a stable member within the broader family of zeolite-like frameworks.
Key Properties
Cross-validated computational properties for Al4O16Si4Tl4, 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.
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 Al4O16Si4Tl4, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 4.08 | 0.0000 | -7.377 | 4.32 |
| Pnma (No. 62) | orthorhombic | 3.49 | 0.0007 | -7.376 | 4.90 |
| Pnma (No. 62) | orthorhombic | 2.79 | 0.3810 | -6.996 | 5.72 |
| P21/c (No. 14) | monoclinic | 3.01 | 0.4940 | -6.883 | 4.21 |
| No. 0 | unknown | — | — | — | 1.28 |
| — | — | — | — | — | 4.34 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 3.93 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Al4O16Si4Tl4 is used.
Frequently Asked Questions
Common questions about Al4O16Si4Tl4, answered from cross-validated data.
What is Al4O16Si4Tl4?
Al4O16Si4Tl4 is a thermodynamically stable thallium-based aluminosilicate framework material that functions as an electrical insulator.
What is Al4O16Si4Tl4 used for?
What is the band gap of Al4O16Si4Tl4?
Is Al4O16Si4Tl4 a metal, semiconductor, or insulator?
Is Al4O16Si4Tl4 thermodynamically stable?
What is the crystal structure of Al4O16Si4Tl4?
What is the density of Al4O16Si4Tl4?
How many polymorphs of Al4O16Si4Tl4 are known?
What elements does Al4O16Si4Tl4 contain?
Where does the data for Al4O16Si4Tl4 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the diverse class of aluminosilicates, Al4O16Si4Tl4 occupies a unique niche due to the inclusion of thallium, which distinguishes it from more common alkali or alkaline earth-based frameworks like NaAlSi3O8 or KAlSiO4. While it shares the fundamental structural motifs found in minerals like Al2SiO5, its specific composition offers a distinct electronic profile compared to the more traditional silicate minerals.
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).
- 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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