Bi1Sn1Te2

Bi1Sn1Te2 is a stable semiconducting bismuth chalcogenide used in the study and development of thermoelectric materials.

Overview

About Bi1Sn1Te2

Bi1Sn1Te2 is a semiconducting member of the bismuth chalcogenide family of materials. As a thermodynamically stable compound residing on the convex hull, it represents a robust configuration within this class of materials, which are widely investigated for their potential in energy conversion technologies.

Its electronic structure and stability make it a subject of significant interest for solid-state physics and materials engineering. By leveraging the unique transport properties inherent to bismuth-based chalcogenides, researchers utilize this compound to explore efficient heat-to-electricity conversion mechanisms.

At a glance

Key Properties

Cross-validated computational properties for Bi1Sn1Te2, aggregated across 2 databases.

Band Gap

0.17–0.43 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

28
2 databases, 17 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Bi1Sn1Te2, 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)trigonal0.430.0000-35.0486.87
Cm (No. 8)monoclinic0.170.0303-35.0186.62
Cmm2 (No. 35)
Pmmm (No. 47)
P4/mmm (No. 123)
P4/mmm (No. 123)
Fm-3m (No. 225)
Pmm2 (No. 25)
Imm2 (No. 44)
P4mm (No. 99)
P2/m (No. 10)
I-4m2 (No. 119)
Uses

Applications

Where Bi1Sn1Te2 is used.

Thermoelectric energy conversionSolid-state cooling researchSemiconductor device development
Reference

Frequently Asked Questions

Common questions about Bi1Sn1Te2, answered from cross-validated data.

What is Bi1Sn1Te2?

Bi1Sn1Te2 is a stable semiconducting bismuth chalcogenide used in the study and development of thermoelectric materials.

More questions
What is Bi1Sn1Te2 used for?
Bi1Sn1Te2 is used in thermoelectric energy conversion, solid-state cooling research, and semiconductor device development.
What is the band gap of Bi1Sn1Te2?
Bi1Sn1Te2 has a DFT-computed band gap of 0.17–0.43 eV across 28 reported structures.
Is Bi1Sn1Te2 a metal, semiconductor, or insulator?
With a band gap up to 0.43 eV it is a semiconductor.
Is Bi1Sn1Te2 thermodynamically stable?
Yes — Bi1Sn1Te2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Bi1Sn1Te2?
The lowest-energy reported polymorph of Bi1Sn1Te2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Bi1Sn1Te2?
The computed density of the ground-state structure of Bi1Sn1Te2 is 6.87 g/cm³.
How many polymorphs of Bi1Sn1Te2 are known?
28 structures of Bi1Sn1Te2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Bi1Sn1Te2 contain?
Bi1Sn1Te2 contains Bi, Sn, and Te (3 elements).
Where does the data for Bi1Sn1Te2 come from?
Bi1Sn1Te2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

Within the bismuth chalcogenide thermoelectrics class.

Within the broader class of bismuth chalcogenide thermoelectrics, Bi1Sn1Te2 occupies a distinct niche compared to the highly studied Bi2Te3. While Bi2Te3 serves as the foundational benchmark for thermoelectric performance in this family, Bi1Sn1Te2 offers a unique structural and chemical composition that diversifies the potential for tuning electronic properties compared to other members like AgSbTe2 or Ge2Sb2Te5.

Explore

Related Compounds

Other Bismuth 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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