K2SnBr6
K2SnBr6 is a stable, semiconducting halide perovskite used in materials research for potential photovoltaic and optoelectronic applications.
About K2SnBr6
K2SnBr6 is a semiconducting halide material that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the halide perovskite family, it represents a promising candidate for optoelectronic applications where chemical robustness is a primary design requirement.
Its electronic character makes it an intriguing subject for researchers aiming to move beyond traditional lead-based perovskites. By leveraging its stable crystalline framework, scientists are exploring how this compound can contribute to the development of durable, efficient thin-film solar cells and light-harvesting architectures.
Key Properties
Cross-validated computational properties for K2SnBr6, 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 K2SnBr6. 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 K2SnBr6, 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. |
|---|---|---|---|---|---|
| — | — | 1.86 | 0.0000 | -1.420 | — |
| P21/c (No. 14) | monoclinic | 1.61 | 0.0000 | -3.332 | 3.70 |
| P21/c (No. 14) | monoclinic | 1.57 | 0.0000 | -1.241 | — |
| P4/mnc (No. 128) | tetragonal | 1.42 | 0.0054 | -1.236 | — |
| P4/mnc (No. 128) | tetragonal | 1.56 | 0.0064 | -3.326 | 3.74 |
| — | — | 1.73 | 0.0068 | -1.413 | — |
| Fm-3m (No. 225) | cubic | 1.18 | 0.0162 | -3.316 | 3.72 |
| — | — | 1.36 | 0.0162 | -1.404 | — |
| — | — | 1.35 | 0.0166 | -1.404 | — |
| Fm-3m (No. 225) | cubic | 0.93 | 0.0189 | -1.222 | — |
| P4212 (No. 90) | tetragonal | — | — | — | 7.67 |
| P4/mnc (No. 128) | tetragonal | — | — | — | 3.55 |
Applications
Where K2SnBr6 is used.
Frequently Asked Questions
Common questions about K2SnBr6, answered from cross-validated data.
What is K2SnBr6?
K2SnBr6 is a stable, semiconducting halide perovskite used in materials research for potential photovoltaic and optoelectronic applications.
What is K2SnBr6 used for?
What is the band gap of K2SnBr6?
Is K2SnBr6 a metal, semiconductor, or insulator?
Is K2SnBr6 thermodynamically stable?
What is the crystal structure of K2SnBr6?
What is the density of K2SnBr6?
How many polymorphs of K2SnBr6 are known?
What elements does K2SnBr6 contain?
Where does the data for K2SnBr6 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the diverse landscape of halide perovskites, K2SnBr6 offers a distinct alternative to high-profile materials like CsPbBr3 or CsSnI3. While many lead-based counterparts are frequently studied for their exceptional light-absorption properties, K2SnBr6 is valued for its inherent thermodynamic stability, providing a more resilient structural profile that addresses some of the degradation challenges often associated with more volatile perovskite siblings.
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)
- 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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