K3SbSe3
K3SbSe3 is a stable semiconducting ternary chalcogenide used in materials science research for its structural complexity and electronic properties.
About K3SbSe3
K3SbSe3 is a thermodynamically stable ternary chalcogenide that functions as a semiconductor. Its position on the convex hull underscores its structural integrity, making it a subject of interest for researchers investigating complex crystalline arrangements in chalcogenide systems. The compound is characterized by a rich structural diversity, with multiple reported configurations across major materials databases. This versatility highlights its potential utility in advanced electronic and energy-harvesting technologies, where precise control over semiconducting properties is essential. Its unique composition allows it to serve as a building block for exploring the interplay between alkali metals and pnictogen-chalcogen frameworks.
Key Properties
Cross-validated computational properties for K3SbSe3, 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 K3SbSe3, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 2.31 | 0.0000 | -3.727 | 3.32 |
| P213 (No. 198) | — | — | — | — | — |
| P213 (No. 198) | Cubic | — | — | — | 3.27 |
| P213 (No. 198) | Cubic | — | — | — | 3.18 |
| P213 (No. 198) | Cubic | — | — | — | 3.26 |
Applications
Where K3SbSe3 is used.
Frequently Asked Questions
Common questions about K3SbSe3, answered from cross-validated data.
What is K3SbSe3?
K3SbSe3 is a stable semiconducting ternary chalcogenide used in materials science research for its structural complexity and electronic properties.
What is K3SbSe3 used for?
What is the band gap of K3SbSe3?
Is K3SbSe3 a metal, semiconductor, or insulator?
Is K3SbSe3 thermodynamically stable?
What is the crystal structure of K3SbSe3?
What is the density of K3SbSe3?
How many polymorphs of K3SbSe3 are known?
What elements does K3SbSe3 contain?
Where does the data for K3SbSe3 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the broader class of bismuth and antimony chalcogenides, K3SbSe3 occupies a distinct niche compared to standard binary thermoelectrics like Bi2Te3 or Sb2Se3. While many members of this class are well-known for their optimized thermoelectric performance, K3SbSe3 offers a different structural motif, providing a valuable contrast to the commonly studied KSbSe2. Its stability and semiconducting nature make it a compelling subject for comparative studies aimed at understanding how alkali metal incorporation influences the electronic transport properties of these sophisticated material systems.
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).
- mpaloe — Data from mpaloe.
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