PbSeO4
lead selenate
Lead selenate is a stable, insulating inorganic compound containing lead and selenium.
About lead selenate
Lead selenate is a distinct inorganic compound composed of lead, selenium, and oxygen. As a thermodynamically stable material located on the convex hull, it represents a robust phase within its chemical system.
Characterized by its wide-band-gap insulating electronic profile, this compound is of interest for fundamental materials research. Its structural diversity, evidenced by multiple reported configurations, highlights its complex behavior in solid-state chemistry.
Key Properties
Cross-validated computational properties for lead selenate, 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 PbSeO4. 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 PbSeO4, 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 | 3.43 | 0.0000 | -1.001 | — |
| — | — | 3.33 | 0.0000 | -1.214 | — |
| P21/c (No. 14) | monoclinic | 3.19 | 0.0000 | -5.904 | 6.42 |
| — | — | 3.13 | 0.0331 | -1.181 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 6.58 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.13 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.29 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.48 |
| Pnma (No. 62) | orthorhombic | — | — | — | — |
Applications
Where lead selenate is used.
Frequently Asked Questions
Common questions about lead selenate, answered from cross-validated data.
What is PbSeO4?
Lead selenate is a stable, insulating inorganic compound containing lead and selenium.
What is PbSeO4 used for?
What is the band gap of PbSeO4?
Is PbSeO4 a metal, semiconductor, or insulator?
Is PbSeO4 thermodynamically stable?
What is the crystal structure of PbSeO4?
How many polymorphs of PbSeO4 are known?
What elements does PbSeO4 contain?
Where does the data for PbSeO4 come from?
How It Compares
As a stable lead-based oxoanion, lead selenate serves as a key reference point for understanding the structural and electronic properties of heavy-metal selenates. Its position on the convex hull ensures it remains a significant subject for studies involving phase stability and insulating material behavior.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
Analyze PbSeO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →