Pb1Sn1Te2
Pb1Sn1Te2 has a DFT band gap of 0.12–0.41 eV across 28 reported structures in 16 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Pb1Sn1Te2, 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.
0.12–0.41 eV
Range across DFT structures
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.
0.005 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
28
2 databases, 16 space groups
Reference
Frequently Asked Questions
Common questions about Pb1Sn1Te2, answered from cross-validated data.
What is the band gap of Pb1Sn1Te2?
Pb1Sn1Te2 has a DFT-computed band gap of 0.12–0.41 eV across 28 reported structures.
More questions
Is Pb1Sn1Te2 a metal, semiconductor, or insulator?
With a band gap up to 0.41 eV it is a semiconductor.
Is Pb1Sn1Te2 thermodynamically stable?
Pb1Sn1Te2 has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
How many polymorphs of Pb1Sn1Te2 are known?
28 structures of Pb1Sn1Te2 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Pb1Sn1Te2 contain?
Pb1Sn1Te2 contains Pb, Sn, and Te (3 elements).
Where does the data for Pb1Sn1Te2 come from?
Pb1Sn1Te2 data is cross-referenced from latticegraph.
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Related Compounds
Other Lead Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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