Pb4S16Sc8
Pb4S16Sc8 is a semiconducting lead-based chalcogenide compound being studied for its potential utility in thermoelectric applications.
About Pb4S16Sc8
Pb4S16Sc8 is a complex semiconducting material within the lead chalcogenide family. Its structural arrangement suggests a unique interplay between lead, sulfur, and scandium, positioning it as a subject of interest for researchers exploring new thermoelectric architectures.
As a near-hull compound, it occupies a favorable position in thermodynamic stability, indicating that it is a viable candidate for experimental synthesis. Its electronic properties are characteristic of the broader class of lead-based chalcogenides, which are widely investigated for their potential in solid-state energy conversion.
Key Properties
Cross-validated computational properties for Pb4S16Sc8, 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 Pb4S16Sc8, 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 | 1.67 | 0.0077 | -6.502 | 4.64 |
| — | — | — | — | — | 4.21 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Pb4S16Sc8 is used.
Frequently Asked Questions
Common questions about Pb4S16Sc8, answered from cross-validated data.
What is Pb4S16Sc8?
Pb4S16Sc8 is a semiconducting lead-based chalcogenide compound being studied for its potential utility in thermoelectric applications.
What is Pb4S16Sc8 used for?
What is the band gap of Pb4S16Sc8?
Is Pb4S16Sc8 a metal, semiconductor, or insulator?
Is Pb4S16Sc8 thermodynamically stable?
What is the crystal structure of Pb4S16Sc8?
What is the density of Pb4S16Sc8?
How many polymorphs of Pb4S16Sc8 are known?
What elements does Pb4S16Sc8 contain?
Where does the data for Pb4S16Sc8 come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
While simple binary compounds like PbS and PbSe serve as the foundational standards for thermoelectric performance, Pb4S16Sc8 represents a more intricate structural departure. Unlike the straightforward rock-salt lattices of its simpler siblings, this compound incorporates scandium to potentially tune electronic behavior and phonon transport, offering a distinct pathway for materials engineering compared to the more conventional PbS or Pb2Te2.
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).
- 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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