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.

BrGa
Crystal structure of GaBr3 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Gallium(III) bromide, aggregated across 3 databases.

Band Gap

3.36 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for GaBr3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic3.360.0000-3.2223.72
P21/c (No. 14)
Cm (No. 8)Monoclinic7.78
P1 (No. 1)Triclinic3.53
Pmm2 (No. 25)Orthorhombic4.56
Cm (No. 8)Monoclinic4.88
Pmm2 (No. 25)Orthorhombic5.95
Pmm2 (No. 25)Orthorhombic4.35
Cm (No. 8)Monoclinic5.59
Cm (No. 8)Monoclinic3.99
Cm (No. 8)Monoclinic4.44
C2/m (No. 12)Monoclinic6.85
Uses

Applications

Where Gallium(III) bromide is used.

Lewis acid catalystPrecursor for gallium-based semiconductorsChemical synthesis reagent
Reference

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.

More questions
What is GaBr3 used for?
Gallium(III) bromide (GaBr3) is used in lewis acid catalyst, precursor for gallium-based semiconductors, and chemical synthesis reagent.
What is the band gap of GaBr3?
Gallium(III) bromide (GaBr3) has a DFT-computed band gap of 3.36 eV across 15 reported structures.
Is GaBr3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.36 eV it is an insulator / wide-band-gap material.
Is GaBr3 thermodynamically stable?
Yes — Gallium(III) bromide (GaBr3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of GaBr3?
The lowest-energy reported polymorph of Gallium(III) bromide (GaBr3) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of GaBr3?
The computed density of the ground-state structure of Gallium(III) bromide (GaBr3) is 3.72 g/cm³.
How many polymorphs of GaBr3 are known?
15 structures of GaBr3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does GaBr3 contain?
Gallium(III) bromide (GaBr3) contains Br and Ga (2 elements).
Where does the data for GaBr3 come from?
GaBr3 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

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. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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