Pb2O3
Pb2O3 is a semiconducting lead oxide characterized by its near-hull stability and diverse structural configurations.
About Pb2O3
Pb2O3 is a semiconducting oxide of lead that exists as a complex structural system. Its classification as a near-hull material suggests that it is a metastable phase capable of being synthesized under specific experimental conditions, making it a subject of significant interest for solid-state chemistry studies.
With a high degree of structural diversity reported across multiple databases, this compound serves as a critical model for understanding lead-oxygen bonding environments. Its electronic character positions it as a candidate for specialized applications where semiconducting lead-based materials are required for their unique optoelectronic properties.
Key Properties
Cross-validated computational properties for Pb2O3, 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 Pb2O3. 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 Pb2O3, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.89 | 0.0000 | -1.112 | — |
| P21/m (No. 11) | monoclinic | 0.92 | 0.0005 | -1.111 | — |
| P21/c (No. 14) | monoclinic | 1.09 | 0.0019 | -1.110 | — |
| P21/c (No. 14) | monoclinic | 1.04 | 0.0094 | -5.847 | 9.84 |
| — | — | 1.01 | 0.0133 | -1.222 | — |
| P21/m (No. 11) | monoclinic | 0.93 | 0.0272 | -5.829 | 9.98 |
| — | — | 1.14 | 0.0376 | -1.198 | — |
| — | — | 0.52 | 0.0557 | -1.180 | — |
| — | — | 0.53 | 0.0606 | -1.175 | — |
| — | — | 0.52 | 0.0630 | -1.173 | — |
| Pmn21 (No. 31) | orthorhombic | 0.23 | 0.0643 | -1.047 | — |
| — | — | 1.02 | 0.0754 | -1.160 | — |
Applications
Where Pb2O3 is used.
Frequently Asked Questions
Common questions about Pb2O3, answered from cross-validated data.
What is Pb2O3?
Pb2O3 is a semiconducting lead oxide characterized by its near-hull stability and diverse structural configurations.
What is Pb2O3 used for?
What is the band gap of Pb2O3?
Is Pb2O3 a metal, semiconductor, or insulator?
Is Pb2O3 thermodynamically stable?
What is the crystal structure of Pb2O3?
How many polymorphs of Pb2O3 are known?
What elements does Pb2O3 contain?
Where does the data for Pb2O3 come from?
How It Compares
As a member of the lead oxide family, Pb2O3 occupies a distinct niche in terms of its structural complexity and stability profile. Unlike more common lead oxides, it represents a more elusive phase that bridges the gap between simpler binary oxides, offering researchers a unique platform to investigate the nuances of lead valence states and lattice arrangements.
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)
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