ZnBr2

Zinc bromide · Zinc(II) bromide

Zinc bromide is a white, hygroscopic inorganic compound that is highly soluble in water and organic solvents. It is primarily utilized as a dense fluid in oil and gas well completion and workover operations, as well as a Lewis acid in various chemical synthesis processes.

BrZn
Crystal structure of ZnBr2 (tetragonal, I41/acd (No. 142))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Zinc bromide, aggregated across 3 databases.

Band Gap

3.18–3.27 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

34
3 databases, 10 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for ZnBr2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I41/acd (No. 142)tetragonal3.220.0000-2.7793.96
R-3m (No. 166)trigonal3.270.0853-2.6944.05
C2/m (No. 12)monoclinic3.180.1098-2.6693.97
R-3m (No. 166)Trigonal4.05
C2/m (No. 12)Monoclinic5.63
C2/m (No. 12)Monoclinic4.48
C2/m (No. 12)Monoclinic7.92
C2/m (No. 12)Monoclinic3.53
P21/m (No. 11)Monoclinic6.81
P-1 (No. 2)Triclinic3.82
P-1 (No. 2)Triclinic4.77
R-3m (No. 166)Trigonal4.18
Uses

Applications

Where Zinc bromide is used.

Oil and gas well completion fluidsOrganic synthesis catalystRadiation shieldingFlow batteries
Reference

Frequently Asked Questions

Common questions about Zinc bromide, answered from cross-validated data.

What is ZnBr2?

Zinc bromide is a white, hygroscopic inorganic compound that is highly soluble in water and organic solvents. It is primarily utilized as a dense fluid in oil and gas well completion and workover operations, as well as a Lewis acid in various chemical synthesis processes.

More questions
What is ZnBr2 used for?
Zinc bromide (ZnBr2) is used in oil and gas well completion fluids, organic synthesis catalyst, radiation shielding, and flow batteries.
What is the band gap of ZnBr2?
Zinc bromide (ZnBr2) has a DFT-computed band gap of 3.18–3.27 eV across 34 reported structures.
Is ZnBr2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.27 eV it is an insulator / wide-band-gap material.
Is ZnBr2 thermodynamically stable?
Yes — Zinc bromide (ZnBr2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ZnBr2?
The lowest-energy reported polymorph of Zinc bromide (ZnBr2) is tetragonal symmetry, space group I41/acd (No. 142).
What is the density of ZnBr2?
The computed density of the ground-state structure of Zinc bromide (ZnBr2) is 3.96 g/cm³.
How many polymorphs of ZnBr2 are known?
34 structures of ZnBr2 are reported across 3 databases, spanning 10 distinct space groups.
What elements does ZnBr2 contain?
Zinc bromide (ZnBr2) contains Br and Zn (2 elements).
Where does the data for ZnBr2 come from?
ZnBr2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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