Pb2Se1Te1
Pb2Se1Te1 is a semiconducting ternary lead chalcogenide alloy investigated for its potential in thermoelectric energy harvesting.
About Pb2Se1Te1
Pb2Se1Te1 is a semiconducting alloy within the lead chalcogenide family. As a near-hull stable compound, it represents a promising candidate for experimental synthesis and structural investigation within materials science databases.
This material is primarily studied for its potential in thermoelectric applications, where its electronic properties are leveraged to convert waste heat into electricity. Its composition bridges the gap between binary lead selenide and lead telluride systems, offering a tunable platform for optimizing thermal and electrical transport.
Key Properties
Cross-validated computational properties for Pb2Se1Te1, 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.
Reported Structures
Lowest-energy structures reported for Pb2Se1Te1, 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 | 0.62 | 0.0086 | -38.654 | 8.04 |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Pb2Se1Te1 is used.
Frequently Asked Questions
Common questions about Pb2Se1Te1, answered from cross-validated data.
What is Pb2Se1Te1?
Pb2Se1Te1 is a semiconducting ternary lead chalcogenide alloy investigated for its potential in thermoelectric energy harvesting.
What is Pb2Se1Te1 used for?
What is the band gap of Pb2Se1Te1?
Is Pb2Se1Te1 a metal, semiconductor, or insulator?
Is Pb2Se1Te1 thermodynamically stable?
What is the crystal structure of Pb2Se1Te1?
What is the density of Pb2Se1Te1?
How many polymorphs of Pb2Se1Te1 are known?
What elements does Pb2Se1Te1 contain?
Where does the data for Pb2Se1Te1 come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
Within the broader class of lead chalcogenides, Pb2Se1Te1 serves as a complex ternary derivative that sits between simpler binary compounds like PbSe and TePb. While many of its siblings such as PbS and PbSe are well-established binary standards, this mixed-anion phase offers a distinct structural configuration that expands the compositional space available for thermoelectric engineering.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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