PbSeO3
lead selenite
Lead selenite is a thermodynamically stable, insulating chemical compound composed of lead, selenium, and oxygen.
About lead selenite
Lead selenite is a stable inorganic compound composed of lead, selenium, and oxygen. As a wide-gap insulator, it exhibits distinct electronic characteristics that make it a subject of interest for fundamental solid-state studies and structural characterization. Its position on the convex hull indicates high thermodynamic stability, which is essential for its persistence in various chemical environments. The compound has been documented with multiple structural variations across major databases, highlighting its complexity and the diversity of its crystalline arrangements. This structural richness provides a foundation for investigating how lead and selenium-oxygen polyhedra interact to influence material properties.
Key Properties
Cross-validated computational properties for lead selenite, 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 PbSeO3. 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 PbSeO3, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.44 | 0.0000 | -1.129 | — |
| P21/c (No. 14) | monoclinic | 3.33 | 0.0000 | -5.867 | 6.95 |
| — | — | — | 0.0000 | -1.287 | — |
| P21/m (No. 11) | monoclinic | 3.05 | 0.0005 | -1.129 | — |
| P21/m (No. 11) | monoclinic | 2.89 | 0.0008 | -5.866 | 6.99 |
| — | — | 3.32 | 0.0028 | -1.284 | — |
| — | — | 3.14 | 0.0192 | -1.268 | — |
| — | — | 0.71 | 0.1206 | -1.167 | — |
| — | — | 0.53 | 0.1310 | -1.156 | — |
| — | — | 0.31 | 0.3466 | -0.941 | — |
| — | — | 0.00 | 0.3583 | -0.929 | — |
| P21/m (No. 11) | monoclinic | — | — | — | 7.09 |
Applications
Where lead selenite is used.
Frequently Asked Questions
Common questions about lead selenite, answered from cross-validated data.
What is PbSeO3?
Lead selenite is a thermodynamically stable, insulating chemical compound composed of lead, selenium, and oxygen.
What is PbSeO3 used for?
What is the band gap of PbSeO3?
Is PbSeO3 a metal, semiconductor, or insulator?
Is PbSeO3 thermodynamically stable?
What is the crystal structure of PbSeO3?
How many polymorphs of PbSeO3 are known?
What elements does PbSeO3 contain?
Where does the data for PbSeO3 come from?
How It Compares
As a distinct inorganic compound, lead selenite serves as a key reference point for understanding lead-based chalcogenite systems. While it lacks direct structural siblings in this specific context, it represents a stable phase within the broader family of metal selenites, demonstrating the structural versatility inherent in these insulating materials.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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