Pb3SeO5
Pb3SeO5 is a thermodynamically stable semiconducting oxide composed of lead, selenium, and oxygen.
About Pb3SeO5
Pb3SeO5 is a complex oxide featuring lead and selenium that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating the interplay between heavy metal cations and chalcogenide-oxide frameworks.
The compound is characterized by a diverse structural landscape, with multiple reported configurations across materials databases. This structural flexibility suggests potential for fine-tuning its physical properties for specialized electronic or optoelectronic applications.
Key Properties
Cross-validated computational properties for Pb3SeO5, 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.
Reported Structures
Lowest-energy structures reported for Pb3SeO5, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 2.46 | 0.0000 | -5.853 | 7.81 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.34 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.81 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.51 |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where Pb3SeO5 is used.
Frequently Asked Questions
Common questions about Pb3SeO5, answered from cross-validated data.
What is Pb3SeO5?
Pb3SeO5 is a thermodynamically stable semiconducting oxide composed of lead, selenium, and oxygen.
What is Pb3SeO5 used for?
What is the band gap of Pb3SeO5?
Is Pb3SeO5 a metal, semiconductor, or insulator?
Is Pb3SeO5 thermodynamically stable?
What is the crystal structure of Pb3SeO5?
What is the density of Pb3SeO5?
How many polymorphs of Pb3SeO5 are known?
What elements does Pb3SeO5 contain?
Where does the data for Pb3SeO5 come from?
How It Compares
As a distinct lead selenium oxide, Pb3SeO5 occupies a unique position in solid-state chemistry. While it shares elemental components with simpler binary oxides, its specific stoichiometry allows for a more complex structural arrangement that distinguishes it from common lead or selenium-based binary compounds.
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.
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