Pb1Se2Si1
Pb1Se2Si1 is a thermodynamically stable semiconducting compound composed of lead, selenium, and silicon used in materials science research.
About Pb1Se2Si1
Pb1Se2Si1 is a thermodynamically stable compound within the lead chalcogenide family. As a semiconducting material, it represents a complex integration of lead, selenium, and silicon that sits firmly on the convex hull, indicating robust structural integrity under standard conditions.
This material is of significant interest for researchers investigating next-generation thermoelectric systems. Its unique elemental composition allows for distinct electronic behavior, making it a subject of ongoing study for energy conversion technologies where stable, high-performance semiconductors are required.
Key Properties
Cross-validated computational properties for Pb1Se2Si1, 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 Pb1Se2Si1, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.80 | 0.0000 | -26.140 | 5.48 |
| R3m (No. 160) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Pb1Se2Si1 is used.
Frequently Asked Questions
Common questions about Pb1Se2Si1, answered from cross-validated data.
What is Pb1Se2Si1?
Pb1Se2Si1 is a thermodynamically stable semiconducting compound composed of lead, selenium, and silicon used in materials science research.
What is Pb1Se2Si1 used for?
What is the band gap of Pb1Se2Si1?
Is Pb1Se2Si1 a metal, semiconductor, or insulator?
Is Pb1Se2Si1 thermodynamically stable?
What is the crystal structure of Pb1Se2Si1?
What is the density of Pb1Se2Si1?
How many polymorphs of Pb1Se2Si1 are known?
What elements does Pb1Se2Si1 contain?
Where does the data for Pb1Se2Si1 come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
Unlike the simpler binary lead chalcogenides such as PbS or PbSe, Pb1Se2Si1 incorporates silicon into the lattice to modify its electronic and structural landscape. While many binary members of this class are well-characterized for their thermoelectric efficiency, this ternary variant offers a more complex structural profile, providing a unique alternative to the standard lead-chalcogen systems.
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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