SnTe2Pb

SnTe2Pb is a semiconducting lead-tin-telluride compound studied for its potential role in thermoelectric energy conversion applications.

Crystal structure of SnTe2Pb (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About SnTe2Pb

SnTe2Pb is a semiconducting compound within the lead chalcogenide family, characterized by its complex arrangement of tin, lead, and tellurium. As a near-hull material, it occupies a position of interest for researchers investigating stable phases that can be synthesized for functional applications.

This material contributes to the broader study of chalcogenide-based semiconductors, which are essential for developing efficient thermoelectric devices. Its electronic nature and structural properties make it a viable candidate for further experimental exploration in solid-state physics and materials engineering.

At a glance

Key Properties

Cross-validated computational properties for SnTe2Pb, aggregated across 3 databases.

Band Gap

0.36–0.49 eV
Range across DFT structures · ground state: narrow gap

Energy Above Hull

0.003 eV/atom
Best (lowest) across sources

Stability

Near Hull
3 DFT sources

Structures

9
3 databases, 2 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of SnTe2Pb. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

0.99 / 1.00
Trust tier: high

Hull Spread

0.002 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

Lowest-energy structures reported for SnTe2Pb, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3m (No. 166)trigonal0.490.0030-0.375—
R-3m (No. 166)trigonal0.410.0049-33.3467.17
——0.360.0054-0.365—
P4/mmm (No. 123)tetragonal0.120.0087-33.3427.16
——0.000.2514-0.119—
Fm-3m (No. 225)cubic———7.54
P4/mmm (No. 123)tetragonal———7.06
Fm-3m (No. 225)cubic———7.39
R-3m (No. 166)trigonal———7.17
P4/mmm (No. 123)tetragonal———7.17
R-3m (No. 166)trigonal———7.06
P4/mmm (No. 123)tetragonal———7.20
Uses

Applications

Where SnTe2Pb is used.

Thermoelectric energy conversionSemiconductor researchSolid-state device development
Reference

Frequently Asked Questions

Common questions about SnTe2Pb, answered from cross-validated data.

What is SnTe2Pb?

SnTe2Pb is a semiconducting lead-tin-telluride compound studied for its potential role in thermoelectric energy conversion applications.

More questions
What is SnTe2Pb used for?
SnTe2Pb is used in thermoelectric energy conversion, semiconductor research, and solid-state device development.
What is the band gap of SnTe2Pb?
SnTe2Pb has a DFT-computed band gap of 0.36–0.49 eV across 9 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is SnTe2Pb a metal, semiconductor, or insulator?
DFT predicts a band gap of up to 0.49 eV (a semiconductor). Measured gaps are typically larger.
Is SnTe2Pb thermodynamically stable?
SnTe2Pb has a lowest energy above hull of 0.003 eV/atom (near hull).
What is the crystal structure of SnTe2Pb?
The reference structure of SnTe2Pb is cubic symmetry, space group Fm-3m (No. 225).
What is the density of SnTe2Pb?
The computed density of the ground-state structure of SnTe2Pb is 7.54 g/cm³.
How many polymorphs of SnTe2Pb are known?
9 structures of SnTe2Pb are reported across 3 databases, spanning 2 distinct space groups.
What elements does SnTe2Pb contain?
SnTe2Pb contains Pb, Sn, and Te (3 elements).
Where does the data for SnTe2Pb come from?
SnTe2Pb data is cross-referenced from jarvis, materials_project, oqmd, cod, mpaloe.
Comparison

How It Compares

Within the lead chalcogenide thermoelectrics class.

Within the diverse group of lead chalcogenides, SnTe2Pb represents a more complex multi-element variation compared to simpler binary systems like PbS or PbTe. While binary chalcogenides are the foundational benchmarks for thermoelectric performance, SnTe2Pb offers a unique structural configuration that distinguishes it from the standard binary lattices found in its class.

Explore

Related Compounds

Other Lead Chalcogenide Thermoelectrics in the database.

Data sources & attribution
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.

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