CsSbSe2

CsSbSe2 is a thermodynamically stable semiconducting ternary chalcogenide used in materials science research for its potential thermoelectric properties.

Crystal structure of CsSbSe2
Ground-state structure · Materials Project
Overview

About CsSbSe2

CsSbSe2 is a semiconducting ternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its structural versatility is highlighted by multiple reported configurations across materials databases, marking it as a significant subject for solid-state research.

As part of the broader family of chalcogenide thermoelectrics, this compound leverages the heavy-element chemistry of antimony and selenium to influence its electronic transport properties. It serves as an important model for understanding how alkali metal incorporation modifies the lattice dynamics and electronic structure of traditional chalcogenide semiconductors.

At a glance

Key Properties

Cross-validated computational properties for CsSbSe2, aggregated across 3 databases.

Band Gap

1.14 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 4 space groups
Uses

Applications

Where CsSbSe2 is used.

Thermoelectric researchSemiconductor materials developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about CsSbSe2, answered from cross-validated data.

What is CsSbSe2?

CsSbSe2 is a thermodynamically stable semiconducting ternary chalcogenide used in materials science research for its potential thermoelectric properties.

More questions
What is CsSbSe2 used for?
CsSbSe2 is used in thermoelectric research, semiconductor materials development, and solid-state chemistry studies.
What is the band gap of CsSbSe2?
CsSbSe2 has a DFT-computed band gap of 1.14 eV across 5 reported structures.
Is CsSbSe2 a metal, semiconductor, or insulator?
With a band gap up to 1.14 eV it is a semiconductor.
Is CsSbSe2 thermodynamically stable?
Yes — CsSbSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CsSbSe2 are known?
5 structures of CsSbSe2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does CsSbSe2 contain?
CsSbSe2 contains Cs, Sb, and Se (3 elements).
Where does the data for CsSbSe2 come from?
CsSbSe2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the bismuth chalcogenide thermoelectrics class.

Within the class of chalcogenide thermoelectrics, CsSbSe2 shares structural and electronic parallels with KSbSe2, yet it occupies a distinct position compared to more conventional binary systems like Sb2Se3 or the widely utilized Bi2Te3. While many of its siblings are binary compounds, the inclusion of cesium allows for unique structural tuning that differentiates its behavior from the standard bismuth-based thermoelectric materials.

Explore

Related Compounds

Other Bismuth Chalcogenide Thermoelectrics in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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