KSn2Br5
KSn2Br5 is a semiconducting halide perovskite derivative that is theoretically stable enough to be a viable target for experimental synthesis in photovoltaic research.
About KSn2Br5
KSn2Br5 is a semiconducting halide material that sits within the broader family of perovskite-related compounds. Its electronic character and structural properties make it a subject of interest for researchers seeking to diversify the chemical space of light-harvesting materials.
Because it is identified as being near the thermodynamic hull, this compound is considered a promising candidate for experimental synthesis. It represents a specific stoichiometry within the halide landscape that could offer unique optoelectronic advantages over more traditional lead-based systems.
Key Properties
Cross-validated computational properties for KSn2Br5, 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 KSn2Br5. 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 KSn2Br5, 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. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 2.35 | 0.0000 | -1.108 | — |
| — | — | 2.53 | 0.0013 | -1.258 | — |
| I4/mcm (No. 140) | tetragonal | 2.36 | 0.0197 | -3.532 | 4.30 |
| I4/mcm (No. 140) | tetragonal | — | — | — | 4.27 |
| I4/mcm (No. 140) | tetragonal | — | — | — | 4.15 |
| I4/mcm (No. 140) | tetragonal | — | — | — | 4.27 |
Applications
Where KSn2Br5 is used.
Frequently Asked Questions
Common questions about KSn2Br5, answered from cross-validated data.
What is KSn2Br5?
KSn2Br5 is a semiconducting halide perovskite derivative that is theoretically stable enough to be a viable target for experimental synthesis in photovoltaic research.
What is KSn2Br5 used for?
What is the band gap of KSn2Br5?
Is KSn2Br5 a metal, semiconductor, or insulator?
Is KSn2Br5 thermodynamically stable?
What is the crystal structure of KSn2Br5?
How many polymorphs of KSn2Br5 are known?
What elements does KSn2Br5 contain?
Where does the data for KSn2Br5 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the highly studied and prototypical CsPbBr3, which features a standard cubic perovskite framework, KSn2Br5 adopts a more complex stoichiometry that deviates from the classic ABX3 structure. It shares a tin-based halide chemistry with CsSnI3, yet its specific potassium-tin ratio positions it as a distinct structural variant that expands the compositional diversity of the tin-halide class.
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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