SBr
Sulfur monobromide is a reactive inorganic compound containing sulfur and bromine. It is primarily utilized as a specialized chemical reagent in synthetic chemistry and laboratory research settings.
BrS
Overview
Key Properties
Cross-validated computational properties for SBr, 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.
2.25 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.
142
3 databases, 21 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SBr, 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. |
|---|---|---|---|---|---|
| Aea2 (No. 41) | orthorhombic | 2.25 | 0.0000 | -3.199 | 2.94 |
| P1 (No. 1) | Triclinic | — | — | — | 2.98 |
| P1 (No. 1) | Triclinic | — | — | — | 4.43 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.52 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.35 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.23 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.85 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.79 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.98 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.46 |
| P1 (No. 1) | Triclinic | — | — | — | 3.48 |
Uses
Applications
Where SBr is used.
Chemical synthesisLaboratory reagent
Reference
Frequently Asked Questions
Common questions about SBr, answered from cross-validated data.
What is SBr?
Sulfur monobromide is a reactive inorganic compound containing sulfur and bromine. It is primarily utilized as a specialized chemical reagent in synthetic chemistry and laboratory research settings.
More questions
What is SBr used for?
SBr is used in chemical synthesis and laboratory reagent.
What is the band gap of SBr?
SBr has a DFT-computed band gap of 2.25 eV across 142 reported structures.
Is SBr a metal, semiconductor, or insulator?
With a band gap up to 2.25 eV it is a semiconductor.
Is SBr thermodynamically stable?
Yes — SBr sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SBr?
The lowest-energy reported polymorph of SBr is orthorhombic symmetry, space group Aea2 (No. 41).
What is the density of SBr?
The computed density of the ground-state structure of SBr is 2.94 g/cm³.
How many polymorphs of SBr are known?
142 structures of SBr are reported across 3 databases, spanning 21 distinct space groups.
What elements does SBr contain?
SBr contains Br and S (2 elements).
Where does the data for SBr come from?
SBr data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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