Ge2S6Tl4
Ge2S6Tl4 is a thermodynamically stable semiconducting compound composed of germanium, sulfur, and thallium.
About Ge2S6Tl4
Ge2S6Tl4 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of germanium, sulfur, and thallium atoms. Its stability suggests potential for reliable performance in solid-state electronic or optoelectronic environments where consistent material integrity is paramount.
This compound is of significant interest for researchers investigating the interplay between heavy metal cations and chalcogen frameworks. Given its status as a stable phase, it serves as a foundational building block for understanding complex inorganic semiconductor architectures and their associated physical properties.
Key Properties
Cross-validated computational properties for Ge2S6Tl4, 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 Ge2S6Tl4, 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 | 1.77 | 0.0000 | -4.293 | 5.76 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 5.37 |
Applications
Where Ge2S6Tl4 is used.
Frequently Asked Questions
Common questions about Ge2S6Tl4, answered from cross-validated data.
What is Ge2S6Tl4?
Ge2S6Tl4 is a thermodynamically stable semiconducting compound composed of germanium, sulfur, and thallium.
What is Ge2S6Tl4 used for?
What is the band gap of Ge2S6Tl4?
Is Ge2S6Tl4 a metal, semiconductor, or insulator?
Is Ge2S6Tl4 thermodynamically stable?
What is the crystal structure of Ge2S6Tl4?
What is the density of Ge2S6Tl4?
How many polymorphs of Ge2S6Tl4 are known?
What elements does Ge2S6Tl4 contain?
Where does the data for Ge2S6Tl4 come from?
How It Compares
As a unique ternary chalcogenide, Ge2S6Tl4 occupies a distinct position in materials research, serving as a representative example of how heavy metal thallium can stabilize germanium-sulfur frameworks. Unlike more common binary semiconductors, this compound demonstrates the structural complexity possible within stable ternary systems.
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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