Br2In2
Br2In2 is a stable semiconducting indium bromide compound characterized by a wide array of reported crystal structures.
About Br2In2
Br2In2 is a structurally diverse indium bromide compound that exists as a thermodynamically stable phase on the convex hull. Its semiconducting nature makes it a subject of interest for researchers investigating the electronic properties of metal halides. The material is characterized by a significant degree of structural variety, as evidenced by the numerous crystal arrangements reported across multiple databases. This complexity highlights its potential utility in specialized electronic and chemical applications where precise structural control is required. As a stable member of the indium-bromine system, it serves as a foundational material for understanding the bonding and electronic behavior of group thirteen halides. Its ability to maintain structural integrity under standard conditions positions it as a reliable candidate for further experimental characterization in materials science.
Key Properties
Cross-validated computational properties for Br2In2, aggregated across 5 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 Br2In2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.26 | 0.0000 | -3.133 | 4.97 |
| Cmcm (No. 63) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| — | — | — | — | — | 4.98 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where Br2In2 is used.
Frequently Asked Questions
Common questions about Br2In2, answered from cross-validated data.
What is Br2In2?
Br2In2 is a stable semiconducting indium bromide compound characterized by a wide array of reported crystal structures.
What is Br2In2 used for?
What is the band gap of Br2In2?
Is Br2In2 a metal, semiconductor, or insulator?
Is Br2In2 thermodynamically stable?
What is the crystal structure of Br2In2?
What is the density of Br2In2?
How many polymorphs of Br2In2 are known?
What elements does Br2In2 contain?
Where does the data for Br2In2 come from?
How It Compares
As a thermodynamically stable semiconducting halide, Br2In2 occupies a distinct position within the indium-bromine chemical space, serving as a key reference point for understanding the phase stability and electronic behavior of binary indium bromides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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