Cl16Re4S4Te4
Cl16Re4S4Te4 is a thermodynamically stable semiconducting compound containing rhenium, sulfur, tellurium, and chlorine.
About Cl16Re4S4Te4
Cl16Re4S4Te4 is a complex inorganic compound composed of chlorine, rhenium, sulfur, and tellurium. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement that suggests robust chemical potential for specialized applications.
This material exhibits semiconducting electronic character, positioning it as a candidate for investigation in electronic and optoelectronic research. Its structural diversity, evidenced by multiple reported configurations, highlights its significance in the study of complex chalcogenide-halide systems.
Key Properties
Cross-validated computational properties for Cl16Re4S4Te4, 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 Cl16Re4S4Te4, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 2.33 | 0.0000 | -4.936 | 3.84 |
| — | — | — | — | — | 3.48 |
| I-4 (No. 82) | — | — | — | — | — |
Applications
Where Cl16Re4S4Te4 is used.
Frequently Asked Questions
Common questions about Cl16Re4S4Te4, answered from cross-validated data.
What is Cl16Re4S4Te4?
Cl16Re4S4Te4 is a thermodynamically stable semiconducting compound containing rhenium, sulfur, tellurium, and chlorine.
What is Cl16Re4S4Te4 used for?
What is the band gap of Cl16Re4S4Te4?
Is Cl16Re4S4Te4 a metal, semiconductor, or insulator?
Is Cl16Re4S4Te4 thermodynamically stable?
What is the crystal structure of Cl16Re4S4Te4?
What is the density of Cl16Re4S4Te4?
How many polymorphs of Cl16Re4S4Te4 are known?
What elements does Cl16Re4S4Te4 contain?
Where does the data for Cl16Re4S4Te4 come from?
How It Compares
As a unique inorganic phase, Cl16Re4S4Te4 functions as a distinct structural entity within the broader landscape of rhenium-based chalcogenide-halides, serving as a benchmark for stability and electronic behavior in multi-anionic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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