GaBr3
Gallium(III) bromide · Gallium tribromide
Gallium(III) bromide is a stable, insulating inorganic halide that functions as a versatile reagent in chemical synthesis and materials processing.
About Gallium(III) bromide
Gallium(III) bromide is a binary inorganic compound that exists as a thermodynamically stable phase. Its electronic character is defined by a wide band gap, classifying it as an insulator that is highly relevant for fundamental materials research and synthetic chemistry.
Because of its stability and well-documented structural diversity, this compound serves as a critical building block in the development of gallium-based materials. It is frequently utilized in organic synthesis as a Lewis acid catalyst and as a starting material for preparing various gallium-containing compounds.
Key Properties
Cross-validated computational properties for Gallium(III) bromide, 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 GaBr3. 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 GaBr3, 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 | 3.36 | 0.0000 | -3.222 | 3.72 |
| — | — | 3.20 | 0.0000 | -1.069 | — |
| P21/c (No. 14) | monoclinic | 2.98 | 0.0000 | -0.794 | — |
| — | — | 3.11 | 0.0001 | -1.069 | — |
| — | — | 3.31 | 0.0009 | -1.068 | — |
| — | — | 3.42 | 0.0733 | -0.995 | — |
| — | — | 3.33 | 0.0770 | -0.992 | — |
| — | — | 2.66 | 0.0820 | -0.987 | — |
| — | — | 2.56 | 0.0837 | -0.985 | — |
| — | — | 3.12 | 0.0911 | -0.978 | — |
| — | — | 1.72 | 0.1113 | -0.957 | — |
| — | — | 0.35 | 0.1946 | -0.874 | — |
Applications
Where Gallium(III) bromide is used.
Frequently Asked Questions
Common questions about Gallium(III) bromide, answered from cross-validated data.
What is GaBr3?
Gallium(III) bromide is a stable, insulating inorganic halide that functions as a versatile reagent in chemical synthesis and materials processing.
What is GaBr3 used for?
What is the band gap of GaBr3?
Is GaBr3 a metal, semiconductor, or insulator?
Is GaBr3 thermodynamically stable?
What is the crystal structure of GaBr3?
What is the density of GaBr3?
How many polymorphs of GaBr3 are known?
What elements does GaBr3 contain?
Where does the data for GaBr3 come from?
How It Compares
As a primary gallium halide, this compound represents a fundamental reference point for understanding the structural and chemical behavior of group thirteen trihalides, providing a stable baseline for comparison against other metal-halide systems.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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