SnF3
SnF3 is a semiconducting tin fluoride compound that is considered a viable candidate for laboratory synthesis due to its favorable thermodynamic stability.
About SnF3
SnF3 is a semiconducting inorganic compound composed of tin and fluorine. Its electronic structure suggests potential utility in specialized electronic or optoelectronic applications where specific charge transport properties are required.
As a near-hull material, it is considered a promising candidate for experimental synthesis. The significant volume of reported structural data underscores its importance as a subject of ongoing investigation in solid-state chemistry.
Key Properties
Cross-validated computational properties for SnF3, 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 SnF3. 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 SnF3, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 2.73 | 0.0000 | -5.191 | 3.55 |
| — | — | 2.18 | 0.0000 | -2.703 | — |
| Fm-3m (No. 225) | cubic | 2.94 | 0.0189 | -2.462 | — |
| P-1 (No. 2) | triclinic | 2.38 | 0.0279 | -2.453 | — |
| — | — | 2.87 | 0.0669 | -2.636 | — |
| P-1 (No. 2) | triclinic | 1.80 | 0.0976 | -5.093 | 4.01 |
| — | — | 0.00 | 0.4806 | -2.222 | — |
| — | — | 0.00 | 0.5827 | -2.120 | — |
| — | — | 0.00 | 0.6406 | -2.062 | — |
| — | — | 0.00 | 0.6737 | -2.029 | — |
| P1 (No. 1) | triclinic | — | — | — | 3.18 |
| P1 (No. 1) | triclinic | — | — | — | 3.34 |
Applications
Where SnF3 is used.
Frequently Asked Questions
Common questions about SnF3, answered from cross-validated data.
What is SnF3?
SnF3 is a semiconducting tin fluoride compound that is considered a viable candidate for laboratory synthesis due to its favorable thermodynamic stability.
What is SnF3 used for?
What is the band gap of SnF3?
Is SnF3 a metal, semiconductor, or insulator?
Is SnF3 thermodynamically stable?
What is the crystal structure of SnF3?
What is the density of SnF3?
How many polymorphs of SnF3 are known?
What elements does SnF3 contain?
Where does the data for SnF3 come from?
How It Compares
As a unique fluoride-based compound, SnF3 occupies a distinct position in the landscape of tin-based materials. While it lacks direct structural siblings in this specific dataset, its status as a near-hull phase highlights its relevance as a stable, synthesizable target for researchers exploring novel semiconducting inorganic frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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