P4Pb4S12
P4Pb4S12 is a stable, semiconducting lead-based chalcogenide compound utilized in the study of thermoelectric materials.
About P4Pb4S12
P4Pb4S12 is a thermodynamically stable member of the lead chalcogenide family, characterized by its semiconducting electronic nature. Its unique structural arrangement within the phosphorus-lead-sulfur system makes it a subject of interest for advanced materials research.
As a stable compound residing on the convex hull, it offers a robust platform for investigating thermoelectric phenomena. Its presence in multiple structural databases highlights its significance in the broader exploration of complex chalcogenide frameworks for energy-related applications.
Key Properties
Cross-validated computational properties for P4Pb4S12, aggregated across 4 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 P4Pb4S12, 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 | 2.31 | 0.0000 | -5.034 | 4.66 |
| No. 0 | unknown | — | — | — | 1.20 |
| P21/c (No. 14) | — | — | — | — | — |
| Pc (No. 7) | — | — | — | — | — |
| — | — | — | — | — | 4.51 |
| — | — | — | — | — | 3.96 |
Applications
Where P4Pb4S12 is used.
Frequently Asked Questions
Common questions about P4Pb4S12, answered from cross-validated data.
What is P4Pb4S12?
P4Pb4S12 is a stable, semiconducting lead-based chalcogenide compound utilized in the study of thermoelectric materials.
What is P4Pb4S12 used for?
What is the band gap of P4Pb4S12?
Is P4Pb4S12 a metal, semiconductor, or insulator?
Is P4Pb4S12 thermodynamically stable?
What is the crystal structure of P4Pb4S12?
What is the density of P4Pb4S12?
How many polymorphs of P4Pb4S12 are known?
What elements does P4Pb4S12 contain?
Where does the data for P4Pb4S12 come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
While simpler binary lead chalcogenides like PbS and PbSe are well-established benchmarks in the field of thermoelectrics, P4Pb4S12 represents a more complex, multi-element architecture that expands the structural diversity of the class beyond traditional binary systems.
Related Compounds
Other Lead Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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