SeBr
Selenium monobromide is a binary inorganic compound composed of selenium and bromine. It is primarily utilized as a chemical reagent in specialized synthetic chemistry and materials research.
BrSe
Overview
Key Properties
Cross-validated computational properties for SeBr, 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.
1.52–1.76 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.
0.062 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
126
3 databases, 23 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SeBr, 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 | 1.76 | 0.0615 | -2.924 | 3.79 |
| Aea2 (No. 41) | orthorhombic | 1.52 | 0.0649 | -2.920 | 4.01 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.56 |
| P1 (No. 1) | Triclinic | — | — | — | 6.30 |
| P1 (No. 1) | Triclinic | — | — | — | 3.35 |
| P1 (No. 1) | Triclinic | — | — | — | 4.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.85 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.25 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.17 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 8.18 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.32 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.91 |
Uses
Applications
Where SeBr is used.
Chemical synthesisMaterials science research
Reference
Frequently Asked Questions
Common questions about SeBr, answered from cross-validated data.
What is SeBr?
Selenium monobromide is a binary inorganic compound composed of selenium and bromine. It is primarily utilized as a chemical reagent in specialized synthetic chemistry and materials research.
More questions
What is SeBr used for?
SeBr is used in chemical synthesis and materials science research.
What is the band gap of SeBr?
SeBr has a DFT-computed band gap of 1.52–1.76 eV across 126 reported structures.
Is SeBr a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is SeBr thermodynamically stable?
SeBr has a lowest energy above hull of 0.062 eV/atom (metastable).
What is the crystal structure of SeBr?
The lowest-energy reported polymorph of SeBr is monoclinic symmetry, space group P21/c (No. 14).
What is the density of SeBr?
The computed density of the ground-state structure of SeBr is 3.79 g/cm³.
How many polymorphs of SeBr are known?
126 structures of SeBr are reported across 3 databases, spanning 23 distinct space groups.
What elements does SeBr contain?
SeBr contains Br and Se (2 elements).
Where does the data for SeBr come from?
SeBr data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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