KAg2SbS3
KAg2SbS3 is a semiconducting quaternary sulfide compound that is likely synthesizable due to its favorable thermodynamic stability.
About KAg2SbS3
KAg2SbS3 is a quaternary sulfide compound composed of potassium, silver, antimony, and sulfur. It functions as a semiconductor, positioning it as a material of interest for electronic and optical technologies that require specific charge carrier behaviors.
Due to its status as a near-hull phase, this compound is considered thermodynamically accessible and likely synthesizable in a laboratory setting. Its structural diversity, evidenced by multiple reported configurations, suggests a complex crystal chemistry that warrants further investigation for potential device integration.
Key Properties
Cross-validated computational properties for KAg2SbS3, 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 KAg2SbS3, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.69 | 0.0078 | -14.615 | 4.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.50 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.44 |
| No. 0 | unknown | — | — | — | 2.27 |
Applications
Where KAg2SbS3 is used.
Frequently Asked Questions
Common questions about KAg2SbS3, answered from cross-validated data.
What is KAg2SbS3?
KAg2SbS3 is a semiconducting quaternary sulfide compound that is likely synthesizable due to its favorable thermodynamic stability.
What is KAg2SbS3 used for?
What is the band gap of KAg2SbS3?
Is KAg2SbS3 a metal, semiconductor, or insulator?
Is KAg2SbS3 thermodynamically stable?
What is the crystal structure of KAg2SbS3?
What is the density of KAg2SbS3?
How many polymorphs of KAg2SbS3 are known?
What elements does KAg2SbS3 contain?
Where does the data for KAg2SbS3 come from?
How It Compares
As a quaternary chalcogenide, KAg2SbS3 occupies a specialized niche in materials science where the combination of alkali metals and heavy p-block elements allows for tunable electronic properties. Unlike simpler binary sulfides, this compound offers a more complex structural framework that can be leveraged to optimize performance in semiconducting applications.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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