PbO
lead(II) oxide · litharge, massicot
Lead(II) oxide is a stable, semiconducting inorganic compound widely used as a precursor in battery technology and glass manufacturing.
About lead(II) oxide
Lead(II) oxide is a thermodynamically stable inorganic compound that exists in multiple structural forms, most notably litharge and massicot. Its semiconducting electronic character makes it a significant subject of study in solid-state chemistry, supported by an extensive catalog of reported structures across various databases.
This compound serves as a fundamental precursor in the production of lead-acid batteries and various glass and ceramic formulations. Its stability and predictable chemical behavior allow it to function as a versatile building block for synthesizing more complex lead-based materials used in industrial manufacturing.
Key Properties
Cross-validated computational properties for lead(II) oxide, 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 PbO. 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 PbO, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 2.20 | 0.0000 | -1.245 | — |
| P4/nmm (No. 129) | tetragonal | 1.54 | 0.0000 | -5.800 | 8.81 |
| — | — | 1.18 | 0.0000 | -1.321 | — |
| — | — | 1.28 | 0.0002 | -1.321 | — |
| Pbcm (No. 57) | orthorhombic | 1.78 | 0.0009 | -5.799 | 8.83 |
| — | — | 1.27 | 0.0033 | -1.318 | — |
| Pbcm (No. 57) | orthorhombic | 2.16 | 0.0102 | -5.790 | 9.14 |
| P4/nmm (No. 129) | tetragonal | 1.47 | 0.0133 | -1.231 | — |
| Pbcm (No. 57) | orthorhombic | 2.29 | 0.0158 | -1.229 | — |
| Pbcm (No. 57) | orthorhombic | 2.29 | 0.0165 | -1.228 | — |
| — | — | 2.11 | 0.0185 | -1.303 | — |
| Pca21 (No. 29) | orthorhombic | 2.23 | 0.0214 | -5.779 | 7.89 |
Synthesis Routes
Literature-extracted synthesis procedures targeting PbO.
Applications
Where lead(II) oxide is used.
Patent Landscape
2 patents reference PbO or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 7785561 | Recovery of high purity PbO | — | — |
| 5651952 | Process for the production of litharge (PbO) | — | — |
Frequently Asked Questions
Common questions about lead(II) oxide, answered from cross-validated data.
What is PbO?
Lead(II) oxide is a stable, semiconducting inorganic compound widely used as a precursor in battery technology and glass manufacturing.
What is PbO used for?
What is the band gap of PbO?
Is PbO a metal, semiconductor, or insulator?
Is PbO thermodynamically stable?
What is the crystal structure of PbO?
What is the density of PbO?
How many polymorphs of PbO are known?
How is PbO synthesized?
What elements does PbO contain?
Where does the data for PbO come from?
How It Compares
As a highly studied and thermodynamically stable oxide, lead(II) oxide serves as a primary reference point for lead-based inorganic chemistry, defining the baseline for structural and electronic transitions within its class.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
Analyze PbO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →