Cs4S6
Cs4S6 is a thermodynamically stable semiconducting compound formed from cesium and sulfur.
About Cs4S6
Cs4S6 is a thermodynamically stable inorganic compound composed of cesium and sulfur. As a semiconducting material, it represents a distinct arrangement of elements that maintains structural integrity on the convex hull, making it a subject of interest for fundamental materials research. Its existence across multiple structural databases highlights its significance in the study of alkali metal polysulfides. The compound serves as a key example of how cesium and sulfur can form stable, ordered networks with electronic properties suitable for specialized chemical investigations.
Key Properties
Cross-validated computational properties for Cs4S6, 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 Cs4S6, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.36 | 0.0000 | -15.834 | 3.42 |
| Cmc21 (No. 36) | — | — | — | — | — |
| — | — | — | — | — | 3.26 |
Frequently Asked Questions
Common questions about Cs4S6, answered from cross-validated data.
What is Cs4S6?
Cs4S6 is a thermodynamically stable semiconducting compound formed from cesium and sulfur.
What is the band gap of Cs4S6?
Is Cs4S6 a metal, semiconductor, or insulator?
Is Cs4S6 thermodynamically stable?
What is the crystal structure of Cs4S6?
What is the density of Cs4S6?
How many polymorphs of Cs4S6 are known?
What elements does Cs4S6 contain?
Where does the data for Cs4S6 come from?
How It Compares
As a unique inorganic polysulfide, Cs4S6 occupies a distinct position within the landscape of alkali metal-chalcogen compounds. Without direct structural siblings in this specific classification, it stands as a representative of the complex bonding behaviors possible between heavy alkali metals and sulfur, providing a benchmark for stability in this chemical family.
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).
Analyze Cs4S6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →