SnI2
tin(II) iodide · stannous iodide
Tin(II) iodide is a stable, semiconducting inorganic compound frequently studied for its potential in optoelectronic applications.
About tin(II) iodide
Tin(II) iodide is a metal halide that functions as a semiconductor. It is recognized for its thermodynamic stability, consistently appearing on the convex hull, which makes it a reliable subject for structural and electronic investigation.
With a significant number of reported structures across various databases, this compound serves as a key reference point in the study of tin-based halides. Its electronic character allows it to be utilized in the development of specialized optoelectronic devices and thin-film technologies.
Key Properties
Cross-validated computational properties for tin(II) 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 SnI2. 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 SnI2, 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. |
|---|---|---|---|---|---|
| — | — | 2.00 | 0.0000 | -0.672 | — |
| C2/m (No. 12) | monoclinic | 1.78 | 0.0000 | -0.529 | — |
| C2/m (No. 12) | monoclinic | 1.71 | 0.0000 | -3.097 | 5.12 |
| — | — | 2.01 | 0.0009 | -0.672 | — |
| — | — | 2.00 | 0.0023 | -0.670 | — |
| — | — | 2.04 | 0.0025 | -0.670 | — |
| — | — | 1.99 | 0.0026 | -0.670 | — |
| P42/mnm (No. 136) | tetragonal | 1.20 | 0.0248 | -3.072 | 4.66 |
| — | — | 1.77 | 0.0364 | -0.636 | — |
| — | — | 1.33 | 0.0417 | -0.631 | — |
| — | — | 1.23 | 0.0420 | -0.630 | — |
| P42/mnm (No. 136) | tetragonal | 1.28 | 0.0466 | -0.483 | — |
Applications
Where tin(II) iodide is used.
Frequently Asked Questions
Common questions about tin(II) iodide, answered from cross-validated data.
What is SnI2?
Tin(II) iodide is a stable, semiconducting inorganic compound frequently studied for its potential in optoelectronic applications.
What is SnI2 used for?
What is the band gap of SnI2?
Is SnI2 a metal, semiconductor, or insulator?
Is SnI2 thermodynamically stable?
What is the crystal structure of SnI2?
How many polymorphs of SnI2 are known?
What elements does SnI2 contain?
Where does the data for SnI2 come from?
How It Compares
As a stable and well-documented member of the tin-halide family, this compound serves as a foundational reference for researchers exploring the broader class of metal-iodide semiconductors.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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