CsSbSe2
CsSbSe2 is a thermodynamically stable semiconducting ternary chalcogenide used in materials science research for its potential thermoelectric properties.
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.
Key Properties
Cross-validated computational properties for CsSbSe2, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for CsSbSe2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.14 | 0.0000 | -20.695 | 4.64 |
| P-1 (No. 2) | triclinic | 1.12 | 0.0000 | -19.711 | 5.22 |
| C2/c (No. 15) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| — | — | — | — | — | 5.09 |
Applications
Where CsSbSe2 is used.
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.
What is CsSbSe2 used for?
What is the band gap of CsSbSe2?
Is CsSbSe2 a metal, semiconductor, or insulator?
Is CsSbSe2 thermodynamically stable?
What is the crystal structure of CsSbSe2?
What is the density of CsSbSe2?
How many polymorphs of CsSbSe2 are known?
What elements does CsSbSe2 contain?
Where does the data for CsSbSe2 come from?
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.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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