K4Sn3Se8
K4Sn3Se8 is a stable, semiconducting chalcogenide material investigated for its potential applications in next-generation photovoltaic and optoelectronic devices.
About K4Sn3Se8
K4Sn3Se8 is a semiconducting compound that occupies a stable position on the thermodynamic convex hull. Its structural integrity and electronic nature make it a subject of interest for researchers investigating alternative materials for energy conversion applications. The compound has been well-documented across multiple structural databases, reflecting its significance in materials science. It serves as a candidate for exploring the complex interplay between alkali metals and tin-selenium frameworks within the broader context of perovskite-inspired photovoltaics. By leveraging its stable crystalline arrangement, scientists aim to tune its electronic properties for potential use in optoelectronic devices.
Key Properties
Cross-validated computational properties for K4Sn3Se8, 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 K4Sn3Se8. 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 K4Sn3Se8, 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. |
|---|---|---|---|---|---|
| — | — | 1.57 | 0.0000 | -0.821 | — |
| Ccce (No. 68) | orthorhombic | 1.45 | 0.0000 | -4.006 | 3.94 |
| Ccce (No. 68) | orthorhombic | 1.38 | 0.0000 | -0.834 | — |
| Ccce (No. 68) | orthorhombic | — | — | — | 3.89 |
| Ccce (No. 68) | orthorhombic | — | — | — | 3.78 |
| Ccce (No. 68) | orthorhombic | — | — | — | 3.93 |
Applications
Where K4Sn3Se8 is used.
Frequently Asked Questions
Common questions about K4Sn3Se8, answered from cross-validated data.
What is K4Sn3Se8?
K4Sn3Se8 is a stable, semiconducting chalcogenide material investigated for its potential applications in next-generation photovoltaic and optoelectronic devices.
What is K4Sn3Se8 used for?
What is the band gap of K4Sn3Se8?
Is K4Sn3Se8 a metal, semiconductor, or insulator?
Is K4Sn3Se8 thermodynamically stable?
What is the crystal structure of K4Sn3Se8?
What is the density of K4Sn3Se8?
How many polymorphs of K4Sn3Se8 are known?
What elements does K4Sn3Se8 contain?
Where does the data for K4Sn3Se8 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the widely studied lead-based perovskites such as CsPbBr3 or CsSnI3, K4Sn3Se8 represents a distinct structural class that avoids the toxicity concerns associated with heavy metal halides. While siblings like Cs4I12Sn4 rely on halide frameworks, this compound utilizes selenium to achieve its semiconducting behavior, offering a different pathway for bandgap engineering in thin-film technologies.
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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