Cs4S8Sb4
Cs4S8Sb4 is a thermodynamically stable semiconducting compound composed of cesium, sulfur, and antimony.
About Cs4S8Sb4
Cs4S8Sb4 is a complex chalcogenide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of cesium, sulfur, and antimony atoms that maintains integrity under standard conditions.
This material is of significant interest to solid-state chemists due to the multiple structural configurations reported across various databases. Its unique composition allows for versatile coordination environments, making it a subject of ongoing research for specialized electronic and optoelectronic device architectures.
Key Properties
Cross-validated computational properties for Cs4S8Sb4, 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 Cs4S8Sb4, 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 | 1.74 | 0.0000 | -17.575 | 3.94 |
| P-1 (No. 2) | triclinic | 1.44 | 0.0000 | -16.138 | 4.44 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 2.96 |
Applications
Where Cs4S8Sb4 is used.
Frequently Asked Questions
Common questions about Cs4S8Sb4, answered from cross-validated data.
What is Cs4S8Sb4?
Cs4S8Sb4 is a thermodynamically stable semiconducting compound composed of cesium, sulfur, and antimony.
What is Cs4S8Sb4 used for?
What is the band gap of Cs4S8Sb4?
Is Cs4S8Sb4 a metal, semiconductor, or insulator?
Is Cs4S8Sb4 thermodynamically stable?
What is the crystal structure of Cs4S8Sb4?
What is the density of Cs4S8Sb4?
How many polymorphs of Cs4S8Sb4 are known?
What elements does Cs4S8Sb4 contain?
Where does the data for Cs4S8Sb4 come from?
How It Compares
As a distinct member of the cesium-antimony-sulfur system, Cs4S8Sb4 serves as a foundational example of stable ternary chalcogenide chemistry. It occupies a unique position in the compositional space, providing a benchmark for understanding how alkali metal incorporation influences the semiconducting properties of antimony-sulfur networks.
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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