Sn3F8
Sn3F8 is a stable, insulating inorganic compound formed from tin and fluorine atoms.
About Sn3F8
Sn3F8 is a distinct inorganic compound composed of tin and fluorine. It is characterized as a wide-band-gap insulator, indicating its electronic behavior is dominated by a lack of free charge carriers under standard conditions. Its status as a thermodynamically stable phase on the convex hull suggests a robust structural arrangement that resists decomposition.
Because of its stability and well-defined structural characteristics, this compound serves as an important reference point in the study of tin-based halide materials. Its presence across multiple structural databases highlights its significance in fundamental materials science research.
Key Properties
Cross-validated computational properties for Sn3F8, 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 Sn3F8. 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 Sn3F8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.31 | 0.0000 | -2.497 | — |
| — | — | 3.17 | 0.0000 | -2.672 | — |
| P21/c (No. 14) | monoclinic | 3.16 | 0.0000 | -5.192 | 4.96 |
| — | — | 2.20 | 0.1097 | -2.562 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 4.76 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.63 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.47 |
Applications
Where Sn3F8 is used.
Frequently Asked Questions
Common questions about Sn3F8, answered from cross-validated data.
What is Sn3F8?
Sn3F8 is a stable, insulating inorganic compound formed from tin and fluorine atoms.
What is Sn3F8 used for?
What is the band gap of Sn3F8?
Is Sn3F8 a metal, semiconductor, or insulator?
Is Sn3F8 thermodynamically stable?
What is the crystal structure of Sn3F8?
How many polymorphs of Sn3F8 are known?
What elements does Sn3F8 contain?
Where does the data for Sn3F8 come from?
How It Compares
As a thermodynamically stable tin fluoride, Sn3F8 represents a unique structural configuration within the broader landscape of metal halides. It serves as a foundational example of how tin and fluorine can organize into stable, insulating crystalline frameworks.
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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