Pb1Se2Si1

This inorganic compound is a ternary semiconductor material composed of lead, selenium, and silicon. It is primarily studied for its potential utility in advanced electronic and optoelectronic device research.

Overview

Key Properties

Cross-validated computational properties for Pb1Se2Si1, aggregated across 2 databases.

Band Gap

1.80 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

27
2 databases, 17 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Pb1Se2Si1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic1.800.0000-26.1405.48
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)
Uses

Applications

Where Pb1Se2Si1 is used.

Semiconductor researchOptoelectronic device developmentMaterials science studies
Reference

Frequently Asked Questions

Common questions about Pb1Se2Si1, answered from cross-validated data.

What is Pb1Se2Si1?

This inorganic compound is a ternary semiconductor material composed of lead, selenium, and silicon. It is primarily studied for its potential utility in advanced electronic and optoelectronic device research.

More questions
What is Pb1Se2Si1 used for?
Pb1Se2Si1 is used in semiconductor research, optoelectronic device development, and materials science studies.
What is the band gap of Pb1Se2Si1?
Pb1Se2Si1 has a DFT-computed band gap of 1.80 eV across 27 reported structures.
Is Pb1Se2Si1 a metal, semiconductor, or insulator?
With a band gap up to 1.80 eV it is a semiconductor.
Is Pb1Se2Si1 thermodynamically stable?
Yes — Pb1Se2Si1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Pb1Se2Si1?
The lowest-energy reported polymorph of Pb1Se2Si1 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Pb1Se2Si1?
The computed density of the ground-state structure of Pb1Se2Si1 is 5.48 g/cm³.
How many polymorphs of Pb1Se2Si1 are known?
27 structures of Pb1Se2Si1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Pb1Se2Si1 contain?
Pb1Se2Si1 contains Pb, Se, and Si (3 elements).
Where does the data for Pb1Se2Si1 come from?
Pb1Se2Si1 data is cross-referenced from materials_project, aflow.
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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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