Pb1Se1
Pb1Se1 has a DFT band gap of 0.43–1.30 eV across 51 reported structures in 10 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Pb1Se1, aggregated across 3 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.
0.43–1.30 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
51
3 databases, 10 space groups
Reference
Frequently Asked Questions
Common questions about Pb1Se1, answered from cross-validated data.
What is the band gap of Pb1Se1?
Pb1Se1 has a DFT-computed band gap of 0.43–1.30 eV across 51 reported structures.
More questions
Is Pb1Se1 a metal, semiconductor, or insulator?
With a band gap up to 1.30 eV it is a semiconductor.
Is Pb1Se1 thermodynamically stable?
Yes — Pb1Se1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Pb1Se1 are known?
51 structures of Pb1Se1 are reported across 3 databases, spanning 10 distinct space groups.
What elements does Pb1Se1 contain?
Pb1Se1 contains Pb and Se (2 elements).
Where does the data for Pb1Se1 come from?
Pb1Se1 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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