S6Sn4Tl4
S6Sn4Tl4 is a thermodynamically stable, semiconducting inorganic compound containing sulfur, tin, and thallium.
About S6Sn4Tl4
S6Sn4Tl4 is a complex inorganic compound composed of sulfur, tin, and thallium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental materials research.
The material exhibits semiconducting electronic characteristics, making it a subject of investigation for potential optoelectronic or specialized electronic applications. Its existence across multiple reported structures highlights its structural versatility within the landscape of ternary chalcogenides.
Key Properties
Cross-validated computational properties for S6Sn4Tl4, 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 S6Sn4Tl4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.84 | 0.0000 | -4.214 | 6.17 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 5.76 |
Applications
Where S6Sn4Tl4 is used.
Frequently Asked Questions
Common questions about S6Sn4Tl4, answered from cross-validated data.
What is S6Sn4Tl4?
S6Sn4Tl4 is a thermodynamically stable, semiconducting inorganic compound containing sulfur, tin, and thallium.
What is S6Sn4Tl4 used for?
What is the band gap of S6Sn4Tl4?
Is S6Sn4Tl4 a metal, semiconductor, or insulator?
Is S6Sn4Tl4 thermodynamically stable?
What is the crystal structure of S6Sn4Tl4?
What is the density of S6Sn4Tl4?
How many polymorphs of S6Sn4Tl4 are known?
What elements does S6Sn4Tl4 contain?
Where does the data for S6Sn4Tl4 come from?
How It Compares
As a distinct ternary compound, S6Sn4Tl4 occupies a unique position in materials science, serving as a stable reference point for understanding the interplay between heavy metal thallium and group fourteen elements in sulfur-based frameworks.
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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