KSnSe2
KSnSe2 is a thermodynamically stable semiconducting material used in advanced photovoltaic and optoelectronic research.
About KSnSe2
KSnSe2 is a semiconducting compound composed of potassium, tin, and selenium. As a stable member of the broader halide perovskite and related chalcogenide family, it sits securely on the convex hull, indicating robust thermodynamic stability under standard conditions.
This material is of significant interest in the development of next-generation optoelectronic devices. Its specific electronic character makes it a candidate for research into efficient light-harvesting applications, contributing to the ongoing exploration of non-toxic or alternative semiconductor architectures.
Key Properties
Cross-validated computational properties for KSnSe2, 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 KSnSe2. 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 KSnSe2, 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. |
|---|---|---|---|---|---|
| — | — | 1.36 | 0.0348 | -0.773 | — |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.0476 | -0.779 | — |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.0630 | -0.763 | — |
| — | — | 0.00 | 0.0910 | -0.717 | — |
| I4cm (No. 108) | tetragonal | 0.00 | 0.0956 | -3.944 | 4.29 |
| I4cm (No. 108) | tetragonal | — | — | — | 4.42 |
| I4cm (No. 108) | tetragonal | — | — | — | 4.44 |
| I4cm (No. 108) | tetragonal | — | — | — | 4.29 |
Applications
Where KSnSe2 is used.
Frequently Asked Questions
Common questions about KSnSe2, answered from cross-validated data.
What is KSnSe2?
KSnSe2 is a thermodynamically stable semiconducting material used in advanced photovoltaic and optoelectronic research.
What is KSnSe2 used for?
What is the band gap of KSnSe2?
Is KSnSe2 a metal, semiconductor, or insulator?
Is KSnSe2 thermodynamically stable?
What is the crystal structure of KSnSe2?
How many polymorphs of KSnSe2 are known?
What elements does KSnSe2 contain?
Where does the data for KSnSe2 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the diverse landscape of halide perovskite-related materials, KSnSe2 distinguishes itself through its specific elemental composition compared to more traditional halide-based counterparts like CsSnI3 or CsPbBr3. While many members of this class rely on halide anions, the use of selenium in KSnSe2 shifts its electronic properties, positioning it as a distinct alternative for researchers looking to move beyond standard perovskite chemistries.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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