Cs8S28Sb16
Cs8S28Sb16 is a thermodynamically stable semiconducting compound containing cesium, sulfur, and antimony.
About Cs8S28Sb16
Cs8S28Sb16 is a complex ternary chalcogenide composed of cesium, sulfur, and antimony. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural configuration within its chemical system, reflecting a robust arrangement of its constituent elements.
This material exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating the interplay between heavy metal cations and chalcogen frameworks. Its existence across multiple reported structures highlights its significance as a stable building block in solid-state chemistry.
Key Properties
Cross-validated computational properties for Cs8S28Sb16, 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 Cs8S28Sb16, 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 | 1.64 | 0.0000 | -16.758 | 3.90 |
| — | — | — | — | — | 3.51 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Cs8S28Sb16 is used.
Frequently Asked Questions
Common questions about Cs8S28Sb16, answered from cross-validated data.
What is Cs8S28Sb16?
Cs8S28Sb16 is a thermodynamically stable semiconducting compound containing cesium, sulfur, and antimony.
What is Cs8S28Sb16 used for?
What is the band gap of Cs8S28Sb16?
Is Cs8S28Sb16 a metal, semiconductor, or insulator?
Is Cs8S28Sb16 thermodynamically stable?
What is the crystal structure of Cs8S28Sb16?
What is the density of Cs8S28Sb16?
How many polymorphs of Cs8S28Sb16 are known?
What elements does Cs8S28Sb16 contain?
Where does the data for Cs8S28Sb16 come from?
How It Compares
As a unique ternary compound, Cs8S28Sb16 serves as a primary reference point for understanding the structural diversity of cesium-antimony-sulfur systems, representing a stable configuration that provides a baseline for exploring the electronic properties of similar complex chalcogenides.
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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