Pb3SO6
lead(II) sulfate lead(II) oxide · lanarkite
Lanarkite is a naturally occurring mineral composed of lead, sulfur, and oxygen. It is primarily studied for its structural properties in mineralogy and its historical significance as a lead-bearing compound.
OPbS
Overview
Key Properties
Cross-validated computational properties for lead(II) sulfate lead(II) oxide, 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.
1.16–2.94 eV
Range across DFT structures
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.
0.004 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Pb3SO6, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.94 | 0.0044 | -6.255 | 7.51 |
| P21/m (No. 11) | monoclinic | 2.94 | 0.0067 | -6.252 | 7.55 |
| Cmcm (No. 63) | orthorhombic | 2.81 | 0.0250 | -6.234 | 6.42 |
| P212121 (No. 19) | orthorhombic | 1.16 | 0.3023 | -5.910 | 8.81 |
| Cmcm (No. 63) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.42 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.81 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.18 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.47 |
Uses
Applications
Where lead(II) sulfate lead(II) oxide is used.
mineralogical researchgeological studiesreference material for lead-based compounds
Reference
Frequently Asked Questions
Common questions about lead(II) sulfate lead(II) oxide, answered from cross-validated data.
What is Pb3SO6?
Lanarkite is a naturally occurring mineral composed of lead, sulfur, and oxygen. It is primarily studied for its structural properties in mineralogy and its historical significance as a lead-bearing compound.
More questions
What is Pb3SO6 used for?
lead(II) sulfate lead(II) oxide (Pb3SO6) is used in mineralogical research, geological studies, and reference material for lead-based compounds.
What is the band gap of Pb3SO6?
lead(II) sulfate lead(II) oxide (Pb3SO6) has a DFT-computed band gap of 1.16–2.94 eV across 13 reported structures.
Is Pb3SO6 a metal, semiconductor, or insulator?
With a band gap up to 2.94 eV it is a semiconductor.
Is Pb3SO6 thermodynamically stable?
lead(II) sulfate lead(II) oxide (Pb3SO6) has a lowest energy above hull of 0.004 eV/atom (near hull (likely stable)).
What is the crystal structure of Pb3SO6?
The lowest-energy reported polymorph of lead(II) sulfate lead(II) oxide (Pb3SO6) is triclinic symmetry, space group P-1 (No. 2).
What is the density of Pb3SO6?
The computed density of the ground-state structure of lead(II) sulfate lead(II) oxide (Pb3SO6) is 7.51 g/cm³.
How many polymorphs of Pb3SO6 are known?
13 structures of Pb3SO6 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Pb3SO6 contain?
lead(II) sulfate lead(II) oxide (Pb3SO6) contains O, Pb, and S (3 elements).
Where does the data for Pb3SO6 come from?
Pb3SO6 data is cross-referenced from materials_project, jarvis, mpaloe.
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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