BSBr
BSBr is a thermodynamically stable, wide-gap insulating compound formed from boron, sulfur, and bromine.
About BSBr
BSBr is a distinct inorganic compound composed of boron, sulfur, and bromine. As a thermodynamically stable material residing on the convex hull, it represents a robust structural configuration within its chemical system.
This compound functions as a wide-gap insulator, characterizing it as a material that does not readily conduct electricity. Its specific electronic properties make it an interesting candidate for specialized chemical research and fundamental studies in solid-state chemistry.
Key Properties
Cross-validated computational properties for BSBr, 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 BSBr, 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 | 3.68 | 0.0000 | -5.010 | 2.48 |
| P21/c (No. 14) | monoclinic | 3.62 | 0.0014 | -5.008 | 1.96 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.65 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.41 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.13 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.37 |
Frequently Asked Questions
Common questions about BSBr, answered from cross-validated data.
What is BSBr?
BSBr is a thermodynamically stable, wide-gap insulating compound formed from boron, sulfur, and bromine.
What is the band gap of BSBr?
Is BSBr a metal, semiconductor, or insulator?
Is BSBr thermodynamically stable?
What is the crystal structure of BSBr?
What is the density of BSBr?
How many polymorphs of BSBr are known?
What elements does BSBr contain?
Where does the data for BSBr come from?
How It Compares
As a unique compound within its chemical space, BSBr serves as a primary reference point for studying the interplay between boron, sulfur, and bromine. Its position on the convex hull establishes it as a baseline for structural stability when compared to other potential configurations of these elements.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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