KSbSe2
KSbSe2 is a stable semiconducting ternary chalcogenide utilized in the study and development of thermoelectric materials.
About KSbSe2
KSbSe2 is a thermodynamically stable ternary chalcogenide that functions as a semiconductor. Its structural configuration is well-documented across numerous databases, reflecting its significance in materials science research. This compound is primarily investigated for its potential in thermoelectric applications, where its electronic properties are leveraged for energy conversion processes. The material's stability on the convex hull makes it a reliable candidate for further experimental and computational study in the search for efficient thermal-to-electric energy materials. Its role in the broader class of chalcogenides highlights the importance of alkali-metal integration in tuning electronic behavior for specialized device performance.
Key Properties
Cross-validated computational properties for KSbSe2, aggregated across 6 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 KSbSe2, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 1.13 | 0.0000 | -3.995 | 3.98 |
| P-1 (No. 2) | triclinic | 1.12 | 0.0000 | -4.097 | 4.31 |
| P-1 (No. 2) | triclinic | 1.45 | 0.0146 | -3.980 | 4.25 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 4.38 |
| P-1 (No. 2) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.60 |
| P1 (No. 1) | Triclinic | — | — | — | 3.58 |
| P1 (No. 1) | Triclinic | — | — | — | 3.36 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.08 |
| P1 (No. 1) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where KSbSe2 is used.
Frequently Asked Questions
Common questions about KSbSe2, answered from cross-validated data.
What is KSbSe2?
KSbSe2 is a stable semiconducting ternary chalcogenide utilized in the study and development of thermoelectric materials.
What is KSbSe2 used for?
What is the band gap of KSbSe2?
Is KSbSe2 a metal, semiconductor, or insulator?
Is KSbSe2 thermodynamically stable?
What is the crystal structure of KSbSe2?
What is the density of KSbSe2?
How many polymorphs of KSbSe2 are known?
What elements does KSbSe2 contain?
Where does the data for KSbSe2 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
While classic thermoelectric materials like Bi2Te3 and Sb2Te3 are widely recognized for their high performance, KSbSe2 offers a distinct structural alternative within the bismuth chalcogenide class. Unlike the binary systems such as Sb2Se3 or Bi2Se3, the inclusion of potassium in KSbSe2 introduces unique lattice dynamics that differentiate its transport properties from those of more traditional compounds like AgSbTe2 or Ge2Sb2Te5.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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