SnI4
tin(IV) iodide · stannic iodide
Tin(IV) iodide is a stable, semiconducting binary compound of tin and iodine widely used in chemical synthesis.
About tin(IV) iodide
Tin(IV) iodide is a binary inorganic compound that exists as a thermodynamically stable semiconducting material. Its position on the convex hull underscores its structural integrity, making it a reliable subject for intensive crystallographic study across multiple databases.
As a metal halide, this compound serves as a versatile reagent in synthetic chemistry and materials research. Its electronic character and stability profile allow it to function effectively in specialized chemical applications where precise control over tin and iodine coordination is required.
Key Properties
Cross-validated computational properties for tin(IV) iodide, 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 SnI4. 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 SnI4, 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. |
|---|---|---|---|---|---|
| — | — | 2.11 | 0.0000 | -0.522 | — |
| Pa-3 (No. 205) | cubic | 2.03 | 0.0000 | -2.698 | 4.14 |
| — | — | 1.94 | 0.0009 | -0.522 | — |
| — | — | 1.51 | 0.0206 | -0.502 | — |
| P-43m (No. 215) | cubic | 0.52 | 0.0264 | -0.291 | — |
| P-43m (No. 215) | cubic | 1.53 | 0.0280 | -2.670 | 4.04 |
| — | — | 0.55 | 0.1083 | -0.414 | — |
| — | — | 0.00 | 0.1147 | -0.408 | — |
| P23 (No. 195) | cubic | — | — | — | 4.54 |
| Fmm2 (No. 42) | orthorhombic | — | — | — | 7.69 |
| Fmm2 (No. 42) | orthorhombic | — | — | — | 3.04 |
| Pa-3 (No. 205) | cubic | — | — | — | 4.51 |
Applications
Where tin(IV) iodide is used.
Frequently Asked Questions
Common questions about tin(IV) iodide, answered from cross-validated data.
What is SnI4?
Tin(IV) iodide is a stable, semiconducting binary compound of tin and iodine widely used in chemical synthesis.
What is SnI4 used for?
What is the band gap of SnI4?
Is SnI4 a metal, semiconductor, or insulator?
Is SnI4 thermodynamically stable?
What is the crystal structure of SnI4?
What is the density of SnI4?
How many polymorphs of SnI4 are known?
What elements does SnI4 contain?
Where does the data for SnI4 come from?
How It Compares
As a standalone representative of its class in this context, tin(IV) iodide serves as a foundational example of a stable, semiconducting metal halide. Its well-documented structural diversity highlights the complex bonding environments possible within the tin-iodine system.
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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