Bi4Cs4S16Si4
Bi4Cs4S16Si4 is a thermodynamically stable, semiconducting quaternary sulfide compound composed of bismuth, cesium, sulfur, and silicon.
About Bi4Cs4S16Si4
Bi4Cs4S16Si4 is a complex quaternary sulfide compound that exhibits semiconducting electronic behavior. As a material residing on the convex hull, it is characterized by its thermodynamic stability, making it a robust candidate for structural and electronic investigations.
This material represents a unique intersection of bismuth, cesium, sulfur, and silicon chemistry. Its stable configuration suggests potential utility in specialized optoelectronic or solid-state applications where precise electronic tuning is required.
Key Properties
Cross-validated computational properties for Bi4Cs4S16Si4, 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 Bi4Cs4S16Si4, 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 | 2.48 | 0.0000 | -4.924 | 3.92 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.06 |
Applications
Where Bi4Cs4S16Si4 is used.
Frequently Asked Questions
Common questions about Bi4Cs4S16Si4, answered from cross-validated data.
What is Bi4Cs4S16Si4?
Bi4Cs4S16Si4 is a thermodynamically stable, semiconducting quaternary sulfide compound composed of bismuth, cesium, sulfur, and silicon.
What is Bi4Cs4S16Si4 used for?
What is the band gap of Bi4Cs4S16Si4?
Is Bi4Cs4S16Si4 a metal, semiconductor, or insulator?
Is Bi4Cs4S16Si4 thermodynamically stable?
What is the crystal structure of Bi4Cs4S16Si4?
What is the density of Bi4Cs4S16Si4?
How many polymorphs of Bi4Cs4S16Si4 are known?
What elements does Bi4Cs4S16Si4 contain?
Where does the data for Bi4Cs4S16Si4 come from?
How It Compares
As a distinct quaternary sulfide, Bi4Cs4S16Si4 occupies a specialized niche within the broader landscape of complex chalcogenides. Without direct structural analogs in its immediate class, it stands as a unique example of how the integration of heavy metal cations and silicon-sulfur frameworks can yield highly stable, semiconducting architectures.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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