K2SnSe3
K2SnSe3 is a thermodynamically stable semiconducting compound used in research for advanced photovoltaic and optoelectronic applications.
About K2SnSe3
K2SnSe3 is a semiconducting ternary chalcogenide that sits firmly on the convex hull, indicating significant thermodynamic stability. Its structural arrangement and electronic properties make it a compelling subject for researchers investigating alternative materials for energy conversion technologies.
As part of the broader family of perovskite-related materials, this compound is studied for its potential to overcome limitations found in traditional halide-based systems. Its unique elemental composition allows for distinct electronic behavior that is critical for developing next-generation thin-film solar cells.
Key Properties
Cross-validated computational properties for K2SnSe3, 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 K2SnSe3. 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 K2SnSe3, 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. |
|---|---|---|---|---|---|
| — | — | 1.71 | 0.0000 | -0.916 | — |
| P-1 (No. 2) | triclinic | 1.65 | 0.0000 | -3.913 | 3.54 |
| P-1 (No. 2) | triclinic | 1.55 | 0.0000 | -0.937 | — |
| — | — | 1.70 | 0.0079 | -0.908 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.49 |
| P-1 (No. 2) | triclinic | — | — | — | 3.46 |
| P-1 (No. 2) | triclinic | — | — | — | 3.37 |
Applications
Where K2SnSe3 is used.
Frequently Asked Questions
Common questions about K2SnSe3, answered from cross-validated data.
What is K2SnSe3?
K2SnSe3 is a thermodynamically stable semiconducting compound used in research for advanced photovoltaic and optoelectronic applications.
What is K2SnSe3 used for?
What is the band gap of K2SnSe3?
Is K2SnSe3 a metal, semiconductor, or insulator?
Is K2SnSe3 thermodynamically stable?
What is the crystal structure of K2SnSe3?
What is the density of K2SnSe3?
How many polymorphs of K2SnSe3 are known?
What elements does K2SnSe3 contain?
Where does the data for K2SnSe3 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the widely studied halide perovskites such as CsPbBr3 or CsSnI3, which often face challenges regarding environmental sensitivity and long-term durability, K2SnSe3 offers a different structural pathway. While many members of this class rely on lead or volatile halides, this selenide-based compound provides a more stable framework that is of high interest for researchers seeking to diversify the material palette for photovoltaic applications.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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