Cs2S4W
This compound is a complex inorganic sulfide containing cesium, tungsten, and sulfur. It is primarily utilized in solid-state chemistry research as a precursor for synthesizing specialized tungsten-based materials.
CsSW
Overview
Key Properties
Cross-validated computational properties for Cs2S4W, 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.
2.16 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Cs2S4W, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.16 | 0.0000 | -20.308 | 3.95 |
| — | — | — | — | — | 4.64 |
| — | — | — | — | — | — |
Uses
Applications
Where Cs2S4W is used.
Materials science researchSolid-state synthesisPrecursor for tungsten-sulfur compounds
Reference
Frequently Asked Questions
Common questions about Cs2S4W, answered from cross-validated data.
What is Cs2S4W?
This compound is a complex inorganic sulfide containing cesium, tungsten, and sulfur. It is primarily utilized in solid-state chemistry research as a precursor for synthesizing specialized tungsten-based materials.
More questions
What is Cs2S4W used for?
Cs2S4W is used in materials science research, solid-state synthesis, and precursor for tungsten-sulfur compounds.
What is the band gap of Cs2S4W?
Cs2S4W has a DFT-computed band gap of 2.16 eV across 3 reported structures.
Is Cs2S4W a metal, semiconductor, or insulator?
With a band gap up to 2.16 eV it is a semiconductor.
Is Cs2S4W thermodynamically stable?
Yes — Cs2S4W sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs2S4W?
The lowest-energy reported polymorph of Cs2S4W is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Cs2S4W?
The computed density of the ground-state structure of Cs2S4W is 3.95 g/cm³.
How many polymorphs of Cs2S4W are known?
3 structures of Cs2S4W are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs2S4W contain?
Cs2S4W contains Cs, S, and W (3 elements).
Where does the data for Cs2S4W come from?
Cs2S4W data is cross-referenced from materials_project, omat24, alexandria.
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).
- alexandria — Data from alexandria.
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