Cu3S8Ta2Tl3
Cu3S8Ta2Tl3 is a stable, semiconducting quaternary sulfide material composed of copper, sulfur, tantalum, and thallium.
About Cu3S8Ta2Tl3
Cu3S8Ta2Tl3 is a complex quaternary sulfide characterized by its semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement of copper, sulfur, tantalum, and thallium atoms.
This material is of significant interest in solid-state chemistry due to its unique composition and stability. Its electronic profile suggests potential utility in specialized semiconducting applications where complex metal-sulfide frameworks are required for performance.
Key Properties
Cross-validated computational properties for Cu3S8Ta2Tl3, 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 Cu3S8Ta2Tl3, 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 (No. 5) | monoclinic | 1.82 | 0.0000 | -5.675 | 5.77 |
| C2 (No. 5) | — | — | — | — | — |
| — | — | — | — | — | 4.99 |
Frequently Asked Questions
Common questions about Cu3S8Ta2Tl3, answered from cross-validated data.
What is Cu3S8Ta2Tl3?
Cu3S8Ta2Tl3 is a stable, semiconducting quaternary sulfide material composed of copper, sulfur, tantalum, and thallium.
What is the band gap of Cu3S8Ta2Tl3?
Is Cu3S8Ta2Tl3 a metal, semiconductor, or insulator?
Is Cu3S8Ta2Tl3 thermodynamically stable?
What is the crystal structure of Cu3S8Ta2Tl3?
What is the density of Cu3S8Ta2Tl3?
How many polymorphs of Cu3S8Ta2Tl3 are known?
What elements does Cu3S8Ta2Tl3 contain?
Where does the data for Cu3S8Ta2Tl3 come from?
How It Compares
As a unique quaternary sulfide, Cu3S8Ta2Tl3 occupies a distinct niche in materials science. It serves as a foundational example of how multi-element integration can achieve thermodynamic stability in complex semiconducting 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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