Sb2TeSe2

This material is a chalcogenide compound composed of antimony, tellurium, and selenium. It is primarily studied for its potential in advanced electronic and optoelectronic devices due to its unique semiconductor properties.

Crystal structure of Sb2TeSe2 (trigonal, R3m (No. 160))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Sb2TeSe2, aggregated across 3 databases.

Band Gap

0.49–0.55 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Sb2TeSe2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R3m (No. 160)trigonal0.490.0000-4.1775.88
R-3m (No. 166)trigonal0.550.0366-4.1405.73
R3m (No. 160)
R-3m (No. 166)
R-3m (No. 166)Trigonal5.73
R-3m (No. 166)Trigonal5.89
R-3m (No. 166)Trigonal5.83
R3m (No. 160)Trigonal5.76
R3m (No. 160)Trigonal5.92
R3m (No. 160)Trigonal5.85
Uses

Applications

Where Sb2TeSe2 is used.

Phase-change memory devicesThermoelectric researchOptoelectronic components
Reference

Frequently Asked Questions

Common questions about Sb2TeSe2, answered from cross-validated data.

What is Sb2TeSe2?

This material is a chalcogenide compound composed of antimony, tellurium, and selenium. It is primarily studied for its potential in advanced electronic and optoelectronic devices due to its unique semiconductor properties.

More questions
What is Sb2TeSe2 used for?
Sb2TeSe2 is used in phase-change memory devices, thermoelectric research, and optoelectronic components.
What is the band gap of Sb2TeSe2?
Sb2TeSe2 has a DFT-computed band gap of 0.49–0.55 eV across 10 reported structures.
Is Sb2TeSe2 a metal, semiconductor, or insulator?
With a band gap up to 0.55 eV it is a semiconductor.
Is Sb2TeSe2 thermodynamically stable?
Yes — Sb2TeSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sb2TeSe2?
The lowest-energy reported polymorph of Sb2TeSe2 is trigonal symmetry, space group R3m (No. 160).
What is the density of Sb2TeSe2?
The computed density of the ground-state structure of Sb2TeSe2 is 5.88 g/cm³.
How many polymorphs of Sb2TeSe2 are known?
10 structures of Sb2TeSe2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Sb2TeSe2 contain?
Sb2TeSe2 contains Sb, Se, and Te (3 elements).
Where does the data for Sb2TeSe2 come from?
Sb2TeSe2 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds

Other Phase-Change Memory Materials in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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