CdPbS2
CdPbS2 is a metastable semiconducting compound composed of cadmium, lead, and sulfur that is primarily studied for its potential thermoelectric applications.

About CdPbS2
CdPbS2 is a semiconducting compound within the lead chalcogenide family. As a metastable material, it represents a complex phase space for researchers investigating the interplay between cadmium, lead, and sulfur in solid-state systems.
Its significance lies in its potential for tuning electronic and thermal transport properties. By incorporating cadmium into a lead-sulfide framework, this compound serves as a subject of interest for those studying advanced thermoelectric materials where structural stability and electronic performance are critical.
Key Properties
Cross-validated computational properties for CdPbS2, 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 CdPbS2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.93 | 0.0790 | -3.982 | 6.68 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1315 | -3.930 | 6.57 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 6.70 |
| — | — | — | — | — | — |
| — | — | — | — | — | 6.70 |
Applications
Where CdPbS2 is used.
Frequently Asked Questions
Common questions about CdPbS2, answered from cross-validated data.
What is CdPbS2?
CdPbS2 is a metastable semiconducting compound composed of cadmium, lead, and sulfur that is primarily studied for its potential thermoelectric applications.
What is CdPbS2 used for?
What is the band gap of CdPbS2?
Is CdPbS2 a metal, semiconductor, or insulator?
Is CdPbS2 thermodynamically stable?
What is the crystal structure of CdPbS2?
What is the density of CdPbS2?
How many polymorphs of CdPbS2 are known?
What elements does CdPbS2 contain?
Where does the data for CdPbS2 come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
Unlike the highly stable and widely utilized PbS, which serves as the foundational binary benchmark for lead chalcogenides, CdPbS2 exists as a more complex, metastable phase. While binary counterparts like PbS and PbS2 are extensively characterized for industrial applications, CdPbS2 offers a unique structural variation that deviates from the simpler stoichiometry of its siblings, providing a distinct platform for exploring doping and alloying effects in thermoelectric design.
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).
- alexandria — Data from alexandria.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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