SnPbS2
SnPbS2 is a semiconducting lead-tin sulfide compound investigated for its potential in thermoelectric and electronic applications.
About SnPbS2
SnPbS2 is a semiconducting member of the lead chalcogenide family. Its electronic properties and near-hull thermodynamic stability suggest it is a viable target for synthesis and potential integration into electronic or energy-harvesting devices.
This compound represents an interesting intersection of tin and lead chemistry within the chalcogenide class. Its structural diversity, evidenced by multiple reported configurations, highlights its potential utility in specialized material applications where stable, semiconducting behavior is required.
Key Properties
Cross-validated computational properties for SnPbS2, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SnPbS2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SnPbS2, 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. |
|---|---|---|---|---|---|
| Pmc21 (No. 26) | orthorhombic | 0.97 | 0.0103 | -0.598 | — |
| Pmc21 (No. 26) | orthorhombic | 0.84 | 0.0138 | -4.722 | 6.10 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0255 | -4.710 | 6.21 |
| R-3m (No. 166) | trigonal | 0.14 | 0.0306 | -0.577 | — |
| P1 (No. 1) | triclinic | 1.09 | 0.0425 | -4.693 | 4.31 |
| Pmc21 (No. 26) | orthorhombic | 1.53 | 0.4824 | -4.253 | 2.11 |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.5665 | -0.041 | — |
| P1 (No. 1) | triclinic | — | — | — | 4.31 |
| Pmc21 (No. 26) | orthorhombic | — | — | — | 6.22 |
| Pmc21 (No. 26) | orthorhombic | — | — | — | 6.28 |
| R-3m (No. 166) | trigonal | — | — | — | 6.32 |
| P1 (No. 1) | triclinic | — | — | — | 4.39 |
Applications
Where SnPbS2 is used.
Frequently Asked Questions
Common questions about SnPbS2, answered from cross-validated data.
What is SnPbS2?
SnPbS2 is a semiconducting lead-tin sulfide compound investigated for its potential in thermoelectric and electronic applications.
What is SnPbS2 used for?
What is the band gap of SnPbS2?
Is SnPbS2 a metal, semiconductor, or insulator?
Is SnPbS2 thermodynamically stable?
What is the crystal structure of SnPbS2?
How many polymorphs of SnPbS2 are known?
What elements does SnPbS2 contain?
Where does the data for SnPbS2 come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
Within the broader family of lead chalcogenides, SnPbS2 occupies a unique niche by incorporating tin into the traditional lead-sulfur framework. While binary systems like PbS are foundational standards in the field, the addition of tin allows for the tuning of electronic characteristics, positioning SnPbS2 as a complex alternative to simpler structures like PbS or PbS2.
Related Compounds
Other Lead Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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