Br4Se2
Br4Se2 is a semiconducting selenium bromide compound that exhibits structural complexity despite its metastable thermodynamic nature.
About Br4Se2
Br4Se2 is a binary selenium bromide compound characterized by its semiconducting electronic nature. Its existence as a distinct phase is supported by numerous reported structures across multiple databases, highlighting its role as a subject of interest in structural inorganic chemistry research. Despite its structural documentation, the compound is categorized as being above the thermodynamic hull, suggesting it may be metastable under standard conditions. This instability makes it a compelling target for researchers investigating complex chalcogen-halide bonding environments and synthetic pathways.
Key Properties
Cross-validated computational properties for Br4Se2, aggregated across 4 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 Br4Se2, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 0.82 | 0.1675 | -2.648 | 3.22 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pnnm (No. 58) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where Br4Se2 is used.
Frequently Asked Questions
Common questions about Br4Se2, answered from cross-validated data.
What is Br4Se2?
Br4Se2 is a semiconducting selenium bromide compound that exhibits structural complexity despite its metastable thermodynamic nature.
What is Br4Se2 used for?
What is the band gap of Br4Se2?
Is Br4Se2 a metal, semiconductor, or insulator?
Is Br4Se2 thermodynamically stable?
What is the crystal structure of Br4Se2?
What is the density of Br4Se2?
How many polymorphs of Br4Se2 are known?
What elements does Br4Se2 contain?
Where does the data for Br4Se2 come from?
How It Compares
As a unique binary selenium bromide, Br4Se2 serves as a specialized case study within the broader family of chalcogen halides. Without direct structural siblings in this specific class, it stands as a standalone example of how selenium-bromine stoichiometry can form complex, albeit metastable, semiconducting frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- 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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