PbBr2
Lead(II) bromide · Lead bromide
Lead(II) bromide is a stable, wide-gap insulating inorganic salt composed of lead and bromine.
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.
Key Properties
Cross-validated computational properties for Lead(II) 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 PbBr2. 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 PbBr2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.17 | 0.0000 | -0.959 | — |
| — | — | 2.71 | 0.0000 | -1.152 | — |
| Cmce (No. 64) | orthorhombic | 2.66 | 0.0000 | -3.622 | 4.79 |
| — | — | 0.00 | 0.0006 | -1.151 | — |
| — | — | 2.76 | 0.0012 | -1.151 | — |
| — | — | 2.74 | 0.0022 | -1.150 | — |
| — | — | 2.69 | 0.0023 | -1.150 | — |
| — | — | 0.00 | 0.0082 | -1.144 | — |
| — | — | 2.60 | 0.0106 | -1.142 | — |
| P42/mnm (No. 136) | tetragonal | 2.57 | 0.0109 | -3.611 | 5.27 |
| — | — | 2.63 | 0.0123 | -1.140 | — |
| Pnma (No. 62) | orthorhombic | 3.03 | 0.0272 | -3.595 | 6.40 |
Applications
Where Lead(II) bromide is used.
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.
What is PbBr2 used for?
What is the band gap of PbBr2?
Is PbBr2 a metal, semiconductor, or insulator?
Is PbBr2 thermodynamically stable?
What is the crystal structure of PbBr2?
How many polymorphs of PbBr2 are known?
What elements does PbBr2 contain?
Where does the data for PbBr2 come from?
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
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze PbBr2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →