TlIn5S8
TlIn5S8 is a semiconducting ternary sulfide compound that is considered a viable candidate for synthesis due to its thermodynamic stability.
About TlIn5S8
TlIn5S8 is a complex ternary sulfide composed of thallium, indium, and sulfur. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental solid-state research and potential optoelectronic applications.
Its position near the thermodynamic hull suggests that this compound is a viable candidate for experimental synthesis. With multiple reported structural configurations across various databases, it represents a flexible platform for studying phase behavior in metal-chalcogenide systems.
Key Properties
Cross-validated computational properties for TlIn5S8, 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 TlIn5S8, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 1.66 | 0.0026 | -4.332 | 5.10 |
| P1 (No. 1) | triclinic | 1.54 | 0.0157 | -4.319 | 4.85 |
| P1 (No. 1) | Triclinic | — | — | — | 4.85 |
| P1 (No. 1) | Triclinic | — | — | — | 5.11 |
| Cm (No. 8) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 5.10 |
Applications
Where TlIn5S8 is used.
Frequently Asked Questions
Common questions about TlIn5S8, answered from cross-validated data.
What is TlIn5S8?
TlIn5S8 is a semiconducting ternary sulfide compound that is considered a viable candidate for synthesis due to its thermodynamic stability.
What is TlIn5S8 used for?
What is the band gap of TlIn5S8?
Is TlIn5S8 a metal, semiconductor, or insulator?
Is TlIn5S8 thermodynamically stable?
What is the crystal structure of TlIn5S8?
What is the density of TlIn5S8?
How many polymorphs of TlIn5S8 are known?
What elements does TlIn5S8 contain?
Where does the data for TlIn5S8 come from?
How It Compares
As a distinct ternary sulfide, TlIn5S8 occupies a unique niche within metal-chalcogenide chemistry. It serves as a representative example of how complex stoichiometry can influence the stability and electronic character of semiconducting materials in the absence of more common binary counterparts.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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