PbF2
lead(II) fluoride · lead difluoride
Lead(II) fluoride is a stable, insulating inorganic compound widely utilized for its specialized optical and electronic properties.
About lead(II) fluoride
Lead(II) fluoride is a robust, thermodynamically stable inorganic compound that exists as a wide-gap insulator. Its structural versatility is evidenced by its presence in numerous reported crystal configurations, making it a significant subject of study in solid-state chemistry.
Due to its electronic properties and stability, this material is highly valued in specialized technical fields. It serves as a foundational component in the development of high-performance optical coatings and various solid-state research applications.
Key Properties
Cross-validated computational properties for lead(II) fluoride, 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 PbF2. 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 PbF2, 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 | 4.44 | 0.0000 | -2.510 | — |
| — | — | 4.42 | 0.0000 | -2.658 | — |
| Fm-3m (No. 225) | cubic | 4.39 | 0.0000 | -5.194 | 7.87 |
| Pnma (No. 62) | orthorhombic | 4.38 | 0.0009 | -5.193 | 8.55 |
| Fm-3m (No. 225) | cubic | 4.57 | 0.0028 | -2.508 | — |
| Aea2 (No. 41) | orthorhombic | 4.37 | 0.0030 | -5.191 | 7.48 |
| Fm-3m (No. 225) | cubic | 4.58 | 0.0030 | -2.507 | — |
| — | — | 4.34 | 0.0280 | -2.630 | — |
| — | — | 3.71 | 0.0493 | -2.608 | — |
| — | — | 4.16 | 0.0653 | -2.592 | — |
| — | — | 3.97 | 0.0863 | -2.571 | — |
| — | — | 4.23 | 0.0926 | -2.565 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting PbF2.
Applications
Where lead(II) fluoride is used.
Frequently Asked Questions
Common questions about lead(II) fluoride, answered from cross-validated data.
What is PbF2?
Lead(II) fluoride is a stable, insulating inorganic compound widely utilized for its specialized optical and electronic properties.
What is PbF2 used for?
What is the band gap of PbF2?
Is PbF2 a metal, semiconductor, or insulator?
Is PbF2 thermodynamically stable?
What is the crystal structure of PbF2?
What is the density of PbF2?
How many polymorphs of PbF2 are known?
How is PbF2 synthesized?
What elements does PbF2 contain?
Where does the data for PbF2 come from?
How It Compares
As a prominent binary fluoride, lead(II) fluoride occupies a unique position in materials science due to its distinct combination of high structural stability and insulating character. It stands as a primary reference point for lead-based halides, offering a stable framework for exploring ion transport and optical phenomena in the absence of other complex structural siblings.
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 PbF2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →