Pb2O3

Pb2O3 is a semiconducting lead oxide characterized by its near-hull stability and diverse structural configurations.

OPb
Crystal structure of Pb2O3 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Pb2O3, aggregated across 4 databases.

Band Gap

0.14–1.07 eV
Range across DFT structures

Energy Above Hull

0.009 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

48
4 databases, 14 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Pb2O3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic1.070.0094-5.8479.84
P21/m (No. 11)monoclinic0.920.0272-5.8299.98
Pmn21 (No. 31)orthorhombic0.140.0871-5.76910.03
P21/m (No. 11)monoclinic1.070.1366-5.7209.25
C2/m (No. 12)monoclinic0.000.2094-5.6479.28
Pm (No. 6)monoclinic0.000.2110-5.6469.15
P21/c (No. 14)
P1 (No. 1)Triclinic5.46
P4/nmm (No. 129)
Pmn21 (No. 31)
Pmn21 (No. 31)Orthorhombic10.74
Cm (No. 8)Monoclinic6.40
Uses

Applications

Where Pb2O3 is used.

Solid-state researchSemiconductor material studiesLead-based oxide synthesis
Reference

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.

More questions
What is Pb2O3 used for?
Pb2O3 is used in solid-state research, semiconductor material studies, and lead-based oxide synthesis.
What is the band gap of Pb2O3?
Pb2O3 has a DFT-computed band gap of 0.14–1.07 eV across 48 reported structures.
Is Pb2O3 a metal, semiconductor, or insulator?
With a band gap up to 1.07 eV it is a semiconductor.
Is Pb2O3 thermodynamically stable?
Pb2O3 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
What is the crystal structure of Pb2O3?
The lowest-energy reported polymorph of Pb2O3 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Pb2O3?
The computed density of the ground-state structure of Pb2O3 is 9.84 g/cm³.
How many polymorphs of Pb2O3 are known?
48 structures of Pb2O3 are reported across 4 databases, spanning 14 distinct space groups.
What elements does Pb2O3 contain?
Pb2O3 contains O and Pb (2 elements).
Where does the data for Pb2O3 come from?
Pb2O3 data is cross-referenced from materials_project, jarvis, mpaloe, cod.
Comparison

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
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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