KSnSb
KSnSb is a thermodynamically stable semiconducting ternary compound explored for its potential roles in photovoltaic and electronic applications.
About KSnSb
KSnSb is a semiconducting material that occupies a stable position on the convex hull, marking it as a robust candidate for materials research. Its unique composition of potassium, tin, and antimony positions it as an intriguing subject for electronic and photovoltaic investigations.
As a member of the broader perovskite-related family, this compound is studied for its potential to contribute to energy harvesting technologies. Its structural stability makes it a compelling subject for researchers aiming to understand the fundamental properties of complex ternary semiconductors.
Key Properties
Cross-validated computational properties for KSnSb, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of KSnSb. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for KSnSb, 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. |
|---|---|---|---|---|---|
| — | — | 0.38 | 0.0000 | -0.379 | — |
| P63mc (No. 186) | hexagonal | 0.31 | 0.0000 | -0.403 | — |
| P63mc (No. 186) | hexagonal | 0.26 | 0.0000 | -3.481 | 4.21 |
| — | — | 0.00 | 0.0610 | -0.318 | — |
| — | — | 0.00 | 0.0656 | -0.313 | — |
| — | — | 0.00 | 0.1012 | -0.278 | — |
| — | — | 0.00 | 0.1726 | -0.206 | — |
| — | — | 0.00 | 0.2713 | -0.108 | — |
| — | — | 0.00 | 0.2978 | -0.081 | — |
| — | — | 0.41 | 0.6581 | 0.279 | — |
| P63mc (No. 186) | hexagonal | — | — | — | 4.31 |
| P63mc (No. 186) | hexagonal | — | — | — | 4.18 |
Applications
Where KSnSb is used.
Frequently Asked Questions
Common questions about KSnSb, answered from cross-validated data.
What is KSnSb?
KSnSb is a thermodynamically stable semiconducting ternary compound explored for its potential roles in photovoltaic and electronic applications.
What is KSnSb used for?
What is the band gap of KSnSb?
Is KSnSb a metal, semiconductor, or insulator?
Is KSnSb thermodynamically stable?
What is the crystal structure of KSnSb?
How many polymorphs of KSnSb are known?
What elements does KSnSb contain?
Where does the data for KSnSb come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the widely studied halide-based perovskites such as CsPbBr3 or CsSnI3, which are frequently utilized in high-efficiency solar cells, KSnSb represents a distinct chemical space within the broader class. While many of its siblings rely on halide anions to define their structural framework, KSnSb offers a different elemental combination that provides a unique contrast in electronic behavior and structural chemistry compared to traditional perovskite materials.
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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