Bi8Pb4S16
Bi8Pb4S16 is a complex semiconducting lead chalcogenide material investigated for its potential in thermoelectric energy conversion.
About Bi8Pb4S16
Bi8Pb4S16 is a complex semiconducting material within the lead chalcogenide family. Its composition, involving bismuth, lead, and sulfur, positions it as a significant candidate for advanced thermoelectric research where electronic transport properties are critical for efficiency. The material is characterized by its proximity to the thermodynamic hull, suggesting it is a stable phase that can be synthesized for experimental investigation. Given the breadth of structural data available, it represents a well-documented entry in the study of ternary chalcogenide systems. Its role is primarily focused on the development of materials that can convert thermal gradients into electrical energy, leveraging its semiconducting nature to optimize power factor performance.
Key Properties
Cross-validated computational properties for Bi8Pb4S16, 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 Bi8Pb4S16, 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 | 1.08 | 0.0056 | -4.685 | 6.93 |
| No. 0 | unknown | — | — | — | 1.97 |
| — | — | — | — | — | 6.68 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.77 |
| No. 0 | unknown | — | — | — | 1.80 |
| No. 0 | unknown | — | — | — | 2.03 |
| No. 0 | unknown | — | — | — | 1.81 |
| No. 0 | unknown | — | — | — | 1.94 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Bi8Pb4S16 is used.
Frequently Asked Questions
Common questions about Bi8Pb4S16, answered from cross-validated data.
What is Bi8Pb4S16?
Bi8Pb4S16 is a complex semiconducting lead chalcogenide material investigated for its potential in thermoelectric energy conversion.
What is Bi8Pb4S16 used for?
What is the band gap of Bi8Pb4S16?
Is Bi8Pb4S16 a metal, semiconductor, or insulator?
Is Bi8Pb4S16 thermodynamically stable?
What is the crystal structure of Bi8Pb4S16?
What is the density of Bi8Pb4S16?
How many polymorphs of Bi8Pb4S16 are known?
What elements does Bi8Pb4S16 contain?
Where does the data for Bi8Pb4S16 come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
While simpler binary compounds like PbS and PbSe are foundational benchmarks in the lead chalcogenide class, Bi8Pb4S16 offers a more intricate structural framework that allows for the tuning of electronic properties through complex atomic arrangements. Unlike the basic stoichiometry of PbS, this ternary system provides additional degrees of freedom for phonon scattering, which is essential for minimizing thermal conductivity in high-performance thermoelectric devices.
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).
- 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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