Bi2Cl8N6S8
Bi2Cl8N6S8 is a semiconducting bismuth-based coordination compound that serves as a subject of interest for advanced materials research.
About Bi2Cl8N6S8
Bi2Cl8N6S8 is a complex inorganic compound containing bismuth, chlorine, nitrogen, and sulfur. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental materials research and coordination chemistry studies. Its structural configuration highlights the diverse bonding environments possible within bismuth-based systems. Due to its position relative to the thermodynamic stability hull, this compound is considered metastable, suggesting that its synthesis and preservation require specific experimental conditions. It serves as a valuable case study for understanding the interplay between heavy metal centers and complex ligand architectures in solid-state chemistry.
Key Properties
Cross-validated computational properties for Bi2Cl8N6S8, 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 Bi2Cl8N6S8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.03 | 0.1112 | -12.152 | 2.67 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 2.29 |
Applications
Where Bi2Cl8N6S8 is used.
Frequently Asked Questions
Common questions about Bi2Cl8N6S8, answered from cross-validated data.
What is Bi2Cl8N6S8?
Bi2Cl8N6S8 is a semiconducting bismuth-based coordination compound that serves as a subject of interest for advanced materials research.
What is Bi2Cl8N6S8 used for?
What is the band gap of Bi2Cl8N6S8?
Is Bi2Cl8N6S8 a metal, semiconductor, or insulator?
Is Bi2Cl8N6S8 thermodynamically stable?
What is the crystal structure of Bi2Cl8N6S8?
What is the density of Bi2Cl8N6S8?
How many polymorphs of Bi2Cl8N6S8 are known?
What elements does Bi2Cl8N6S8 contain?
Where does the data for Bi2Cl8N6S8 come from?
How It Compares
As a specialized bismuth-based complex, this material represents a unique structural arrangement within the broader field of bismuth-halide-sulfur compounds. While it lacks direct structural siblings in this context, its existence provides a critical data point for mapping the stability and electronic behavior of complex bismuth-nitrogen-sulfur frameworks.
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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