TlSbS2
TlSbS2 is a stable, semiconducting ternary sulfide compound characterized by diverse structural forms.
About TlSbS2
TlSbS2 is a ternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its semiconducting electronic character makes it a subject of interest for researchers investigating complex sulfide systems with tunable physical properties. The compound has been characterized across multiple structural configurations, reflecting a rich landscape of atomic arrangements. Its stability and electronic nature suggest it may serve as a foundational material for exploring optoelectronic or thermoelectric phenomena in specialized inorganic frameworks.
Key Properties
Cross-validated computational properties for TlSbS2, 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 TlSbS2, 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-1 (No. 2) | triclinic | 1.66 | 0.0000 | -4.276 | 5.81 |
| P-1 (No. 2) | triclinic | 1.27 | 0.0095 | -4.266 | 5.30 |
| P-1 (No. 2) | triclinic | 0.90 | 0.0160 | -4.260 | 5.72 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.1459 | -4.130 | 6.27 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2358 | -4.040 | 6.54 |
| I41/amd (No. 141) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 5.57 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.75 |
| No. 0 | unknown | — | — | — | 3.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.47 |
Applications
Where TlSbS2 is used.
Frequently Asked Questions
Common questions about TlSbS2, answered from cross-validated data.
What is TlSbS2?
TlSbS2 is a stable, semiconducting ternary sulfide compound characterized by diverse structural forms.
What is TlSbS2 used for?
What is the band gap of TlSbS2?
Is TlSbS2 a metal, semiconductor, or insulator?
Is TlSbS2 thermodynamically stable?
What is the crystal structure of TlSbS2?
What is the density of TlSbS2?
How many polymorphs of TlSbS2 are known?
What elements does TlSbS2 contain?
Where does the data for TlSbS2 come from?
How It Compares
As a distinct ternary sulfide, TlSbS2 occupies a unique position within the broader landscape of chalcogenide semiconductors. It represents a stable stoichiometric point in the thallium-antimony-sulfur system, serving as a reference for understanding how heavy metal cations influence the electronic band structure and lattice dynamics in similar sulfide-based materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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