Bi4K4S16Si4
Bi4K4S16Si4 is a thermodynamically stable semiconducting quaternary sulfide composed of bismuth, potassium, sulfur, and silicon.
About Bi4K4S16Si4
Bi4K4S16Si4 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement of bismuth, potassium, sulfur, and silicon atoms.
This material is of significant interest in solid-state chemistry due to its structural complexity and stability. Its unique composition makes it a subject of study for researchers exploring new semiconducting materials for specialized technological applications.
Key Properties
Cross-validated computational properties for Bi4K4S16Si4, aggregated across 4 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 Bi4K4S16Si4, 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 | 2.05 | 0.0000 | -15.973 | 3.69 |
| — | — | — | — | — | 3.50 |
| — | — | — | — | — | 3.52 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 3.52 |
| No. 0 | unknown | — | — | — | 0.94 |
Applications
Where Bi4K4S16Si4 is used.
Frequently Asked Questions
Common questions about Bi4K4S16Si4, answered from cross-validated data.
What is Bi4K4S16Si4?
Bi4K4S16Si4 is a thermodynamically stable semiconducting quaternary sulfide composed of bismuth, potassium, sulfur, and silicon.
What is Bi4K4S16Si4 used for?
What is the band gap of Bi4K4S16Si4?
Is Bi4K4S16Si4 a metal, semiconductor, or insulator?
Is Bi4K4S16Si4 thermodynamically stable?
What is the crystal structure of Bi4K4S16Si4?
What is the density of Bi4K4S16Si4?
How many polymorphs of Bi4K4S16Si4 are known?
What elements does Bi4K4S16Si4 contain?
Where does the data for Bi4K4S16Si4 come from?
How It Compares
As a unique quaternary compound, Bi4K4S16Si4 serves as a distinct example of how bismuth and silicon can be integrated into a stable sulfide framework. While many similar chalcogenides are explored for their optoelectronic properties, this specific stoichiometry highlights the structural diversity possible within complex sulfur-based systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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