PbSe2O5
PbSe2O5 is a thermodynamically stable, wide-gap insulating compound containing lead, selenium, and oxygen.
About PbSe2O5
PbSe2O5 is a thermodynamically stable inorganic compound composed of lead, selenium, and oxygen. As a member of the lead selenate family, it exhibits a wide-gap insulating electronic character, making it an interesting candidate for studies involving dielectric properties and structural chemistry. Its position on the convex hull confirms its inherent stability under standard conditions. The compound has been identified across multiple structural configurations, highlighting its complexity and the interest it garners in materials science databases. Its unique atomic arrangement provides a foundation for understanding the behavior of heavy-metal oxo-anion systems in solid-state chemistry.
Key Properties
Cross-validated computational properties for PbSe2O5, 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 PbSe2O5, 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 | 3.13 | 0.0000 | -5.793 | 5.83 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.58 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.00 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.70 |
| No. 0 | unknown | — | — | — | 1.48 |
| No. 0 | unknown | — | — | — | 1.48 |
Applications
Where PbSe2O5 is used.
Frequently Asked Questions
Common questions about PbSe2O5, answered from cross-validated data.
What is PbSe2O5?
PbSe2O5 is a thermodynamically stable, wide-gap insulating compound containing lead, selenium, and oxygen.
What is PbSe2O5 used for?
What is the band gap of PbSe2O5?
Is PbSe2O5 a metal, semiconductor, or insulator?
Is PbSe2O5 thermodynamically stable?
What is the crystal structure of PbSe2O5?
What is the density of PbSe2O5?
How many polymorphs of PbSe2O5 are known?
What elements does PbSe2O5 contain?
Where does the data for PbSe2O5 come from?
How It Compares
As a distinct lead-based oxo-anion phase, PbSe2O5 represents a stable structural arrangement within the broader landscape of lead-selenium-oxygen compounds. Unlike more common or simpler binary oxides, this ternary phase demonstrates the structural diversity possible when incorporating complex selenium-oxygen coordination environments with lead cations.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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