S20Sb12Tl4
S20Sb12Tl4 is a semiconducting ternary sulfide that is considered potentially synthesizable due to its favorable thermodynamic stability.
About S20Sb12Tl4
S20Sb12Tl4 is a complex chalcogenide composed of thallium, antimony, and sulfur. As a semiconducting material, it exhibits electronic properties that make it a candidate for specialized optoelectronic and thermoelectric investigations.
Due to its near-hull thermodynamic stability, this compound is considered a viable target for experimental synthesis. Its structural complexity and multiple reported configurations suggest a rich landscape for materials discovery within the sulfide family.
Key Properties
Cross-validated computational properties for S20Sb12Tl4, 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 S20Sb12Tl4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.63 | 0.0036 | -4.499 | 4.85 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.83 |
Applications
Where S20Sb12Tl4 is used.
Frequently Asked Questions
Common questions about S20Sb12Tl4, answered from cross-validated data.
What is S20Sb12Tl4?
S20Sb12Tl4 is a semiconducting ternary sulfide that is considered potentially synthesizable due to its favorable thermodynamic stability.
What is S20Sb12Tl4 used for?
What is the band gap of S20Sb12Tl4?
Is S20Sb12Tl4 a metal, semiconductor, or insulator?
Is S20Sb12Tl4 thermodynamically stable?
What is the crystal structure of S20Sb12Tl4?
What is the density of S20Sb12Tl4?
How many polymorphs of S20Sb12Tl4 are known?
What elements does S20Sb12Tl4 contain?
Where does the data for S20Sb12Tl4 come from?
How It Compares
As a unique ternary sulfide, S20Sb12Tl4 represents a specialized composition within the broader field of thallium-antimony-sulfur systems. It occupies a distinct space in the structural landscape, offering a different stoichiometry and electronic profile compared to simpler binary or more common ternary chalcogenides.
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).
Analyze S20Sb12Tl4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →