PbBr2

Lead(II) bromide · Lead bromide

Lead(II) bromide is a stable, wide-gap insulating inorganic salt composed of lead and bromine.

BrPb
Crystal structure of PbBr2 (orthorhombic, Cmce (No. 64))
Ground-state structure · Materials Project
Overview

About Lead(II) bromide

Lead(II) bromide is a well-characterized inorganic compound that exists as a stable solid phase. Its electronic structure is defined by a wide band gap, classifying it as an insulator under standard conditions.

Due to its high structural diversity, this material has been extensively documented across multiple databases. Its stability on the convex hull makes it a significant subject for studies regarding lead-halide systems and their fundamental physical behaviors.

At a glance

Key Properties

Cross-validated computational properties for Lead(II) bromide, aggregated across 4 databases.

Band Gap

2.57–3.03 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

57
4 databases, 19 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for PbBr2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmce (No. 64)orthorhombic2.660.0000-3.6224.79
P42/mnm (No. 136)tetragonal2.570.0109-3.6115.27
Pnma (No. 62)orthorhombic3.030.0272-3.5956.40
P3m1 (No. 156)Trigonal6.20
C2/m (No. 12)Monoclinic5.13
P1 (No. 1)Triclinic6.32
C2/m (No. 12)Monoclinic9.95
Immm (No. 71)Orthorhombic5.33
Immm (No. 71)Orthorhombic6.78
P21/c (No. 14)Monoclinic7.10
Pnnm (No. 58)Orthorhombic4.93
P21/c (No. 14)Monoclinic5.46
Uses

Applications

Where Lead(II) bromide is used.

Inorganic chemistry researchPrecursor for lead-halide perovskite synthesisSpecialized optical materials
Reference

Frequently Asked Questions

Common questions about Lead(II) bromide, answered from cross-validated data.

What is PbBr2?

Lead(II) bromide is a stable, wide-gap insulating inorganic salt composed of lead and bromine.

More questions
What is PbBr2 used for?
Lead(II) bromide (PbBr2) is used in inorganic chemistry research, precursor for lead-halide perovskite synthesis, and specialized optical materials.
What is the band gap of PbBr2?
Lead(II) bromide (PbBr2) has a DFT-computed band gap of 2.57–3.03 eV across 57 reported structures.
Is PbBr2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.03 eV it is an insulator / wide-band-gap material.
Is PbBr2 thermodynamically stable?
Yes — Lead(II) bromide (PbBr2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of PbBr2?
The lowest-energy reported polymorph of Lead(II) bromide (PbBr2) is orthorhombic symmetry, space group Cmce (No. 64).
What is the density of PbBr2?
The computed density of the ground-state structure of Lead(II) bromide (PbBr2) is 4.79 g/cm³.
How many polymorphs of PbBr2 are known?
57 structures of PbBr2 are reported across 4 databases, spanning 19 distinct space groups.
What elements does PbBr2 contain?
Lead(II) bromide (PbBr2) contains Br and Pb (2 elements).
Where does the data for PbBr2 come from?
PbBr2 data is cross-referenced from materials_project, mpaloe, cod.
Comparison

How It Compares

As a standalone lead-halide compound, PbBr2 serves as a foundational reference point for understanding the structural and electronic trends within the broader family of metal halides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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