PbCl2
Lead(II) chloride · cotunnite
Lead(II) chloride is an inorganic compound that appears as a white solid under standard conditions. It is primarily utilized as a precursor in the synthesis of various lead-based materials and as a specialized chemical reagent.
ClPb
Overview
Key Properties
Cross-validated computational properties for Lead(II) chloride, aggregated across 4 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.
2.94–3.79 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
48
4 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for PbCl2, 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 | 3.79 | 0.0000 | -24.172 | 5.77 |
| P21/c (No. 14) | monoclinic | 2.94 | 0.0137 | -24.158 | 5.66 |
| P21/c (No. 14) | monoclinic | 3.05 | 0.0231 | -24.149 | 5.53 |
| P42/mnm (No. 136) | tetragonal | 3.10 | 0.0429 | -24.129 | 4.57 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.53 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.20 |
| P1 (No. 1) | Triclinic | — | — | — | 4.52 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.51 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.54 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.19 |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 4.57 |
Uses
Applications
Where Lead(II) chloride is used.
Production of lead chromate pigmentsSynthesis of organolead compoundsFlux for solderingComponent in infrared optical materialsPrecursor for specialized glass manufacturing
Reference
Frequently Asked Questions
Common questions about Lead(II) chloride, answered from cross-validated data.
What is PbCl2?
Lead(II) chloride is an inorganic compound that appears as a white solid under standard conditions. It is primarily utilized as a precursor in the synthesis of various lead-based materials and as a specialized chemical reagent.
More questions
What is PbCl2 used for?
Lead(II) chloride (PbCl2) is used in production of lead chromate pigments, synthesis of organolead compounds, flux for soldering, component in infrared optical materials, and precursor for specialized glass manufacturing.
What is the band gap of PbCl2?
Lead(II) chloride (PbCl2) has a DFT-computed band gap of 2.94–3.79 eV across 48 reported structures.
Is PbCl2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.79 eV it is an insulator / wide-band-gap material.
Is PbCl2 thermodynamically stable?
Yes — Lead(II) chloride (PbCl2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of PbCl2?
The lowest-energy reported polymorph of Lead(II) chloride (PbCl2) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of PbCl2?
The computed density of the ground-state structure of Lead(II) chloride (PbCl2) is 5.77 g/cm³.
How many polymorphs of PbCl2 are known?
48 structures of PbCl2 are reported across 4 databases, spanning 13 distinct space groups.
What elements does PbCl2 contain?
Lead(II) chloride (PbCl2) contains Cl and Pb (2 elements).
Where does the data for PbCl2 come from?
PbCl2 data is cross-referenced from materials_project, mpaloe, jarvis, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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