SeBr
SeBr is a metastable semiconducting compound formed from selenium and bromine that exhibits a high degree of structural complexity.
About SeBr
SeBr is a metastable inorganic compound composed of selenium and bromine. As a semiconducting material, it represents a specialized chemical system that bridges the properties of chalcogens and halogens, offering unique pathways for electronic and structural research.
The compound is characterized by significant structural diversity, with numerous reported configurations across scientific databases. This structural richness makes it a subject of interest for researchers investigating the complex phase space of selenium-based halides.
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.
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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SeBr. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
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. |
|---|---|---|---|---|---|
| Aea2 (No. 41) | orthorhombic | 1.06 | 0.0000 | -0.079 | — |
| — | — | 1.54 | 0.0025 | -0.239 | — |
| P21/c (No. 14) | monoclinic | 1.75 | 0.0025 | -2.924 | 3.79 |
| — | — | 1.41 | 0.0054 | -0.236 | — |
| Aea2 (No. 41) | orthorhombic | 1.51 | 0.0059 | -2.920 | 4.01 |
| P21/c (No. 14) | monoclinic | 1.45 | 0.0148 | -0.065 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.3599 | 0.281 | — |
| — | — | 0.00 | 0.5990 | 0.358 | — |
| — | — | 0.00 | 0.6045 | 0.363 | — |
| — | — | 0.00 | 0.6994 | 0.458 | — |
| — | — | 0.00 | 0.8284 | 0.587 | — |
| — | — | 0.00 | 0.8570 | 0.616 | — |
Applications
Where SeBr is used.
Frequently Asked Questions
Common questions about SeBr, answered from cross-validated data.
What is SeBr?
SeBr is a metastable semiconducting compound formed from selenium and bromine that exhibits a high degree of structural complexity.
What is SeBr used for?
What is the band gap of SeBr?
Is SeBr a metal, semiconductor, or insulator?
Is SeBr thermodynamically stable?
What is the crystal structure of SeBr?
What is the density of SeBr?
How many polymorphs of SeBr are known?
What elements does SeBr contain?
Where does the data for SeBr come from?
How It Compares
As a unique binary halide, SeBr serves as a distinct example of metastable selenium chemistry. Without direct structural siblings in this specific class, it stands as a standalone reference point for understanding how selenium and bromine interactions influence electronic semiconducting behavior.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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