CdPbS2

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

Crystal structure of CdPbS2 (trigonal, R-3m (No. 166))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for CdPbS2, aggregated across 4 databases.

Band Gap

0.93 eV
Range across DFT structures

Energy Above Hull

0.079 eV/atom
Best (lowest) across sources

Stability

Metastable
3 DFT sources

Structures

8
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for CdPbS2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3m (No. 166)trigonal0.930.0790-3.9826.68
P4/mmm (No. 123)tetragonal0.000.1315-3.9306.57
P4/mmm (No. 123)
6.70
6.70
Uses

Applications

Where CdPbS2 is used.

Thermoelectric researchSemiconductor materials developmentSolid-state physics studies
Reference

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.

More questions
What is CdPbS2 used for?
CdPbS2 is used in thermoelectric research, semiconductor materials development, and solid-state physics studies.
What is the band gap of CdPbS2?
CdPbS2 has a DFT-computed band gap of 0.93 eV across 8 reported structures.
Is CdPbS2 a metal, semiconductor, or insulator?
With a band gap up to 0.93 eV it is a semiconductor.
Is CdPbS2 thermodynamically stable?
CdPbS2 has a lowest energy above hull of 0.079 eV/atom (metastable).
What is the crystal structure of CdPbS2?
The lowest-energy reported polymorph of CdPbS2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of CdPbS2?
The computed density of the ground-state structure of CdPbS2 is 6.68 g/cm³.
How many polymorphs of CdPbS2 are known?
8 structures of CdPbS2 are reported across 4 databases, spanning 2 distinct space groups.
What elements does CdPbS2 contain?
CdPbS2 contains Cd, Pb, and S (3 elements).
Where does the data for CdPbS2 come from?
CdPbS2 data is cross-referenced from materials_project, alexandria, jarvis, omat24.
Comparison

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.

Explore

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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