O16Pb4S4
O16Pb4S4 is a thermodynamically stable lead oxysulfide that acts as a wide-gap insulator.
About O16Pb4S4
O16Pb4S4 is a complex lead oxysulfide compound characterized by its insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of lead, sulfur, and oxygen atoms that maintains structural integrity under standard conditions. The material is notable for its structural diversity, supported by multiple reported crystal arrangements across major databases. Its stability and distinct electronic properties make it a subject of interest for fundamental studies in inorganic chemistry and solid-state materials science.
Key Properties
Cross-validated computational properties for O16Pb4S4, 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 O16Pb4S4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.99 | 0.0000 | -6.518 | 6.34 |
| Pnma (No. 62) | orthorhombic | 3.86 | 0.0447 | -6.473 | 5.25 |
| — | — | — | — | — | 5.51 |
| — | — | — | — | — | 5.66 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where O16Pb4S4 is used.
Frequently Asked Questions
Common questions about O16Pb4S4, answered from cross-validated data.
What is O16Pb4S4?
O16Pb4S4 is a thermodynamically stable lead oxysulfide that acts as a wide-gap insulator.
What is O16Pb4S4 used for?
What is the band gap of O16Pb4S4?
Is O16Pb4S4 a metal, semiconductor, or insulator?
Is O16Pb4S4 thermodynamically stable?
What is the crystal structure of O16Pb4S4?
What is the density of O16Pb4S4?
How many polymorphs of O16Pb4S4 are known?
What elements does O16Pb4S4 contain?
Where does the data for O16Pb4S4 come from?
How It Compares
As a unique inorganic compound, O16Pb4S4 serves as a foundational example of lead-based oxysulfides. It occupies a distinct niche in materials databases, providing a stable reference point for understanding the interplay between chalcogenide and oxide bonding environments in complex crystalline structures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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