SnI2
Tin(II) iodide · Stannous iodide
Tin(II) iodide is a crystalline inorganic compound that functions as a metal halide. It is primarily utilized in the synthesis of specialized materials and serves as a precursor for the development of advanced optoelectronic devices.
ISn
Overview
Key Properties
Cross-validated computational properties for Tin(II) iodide, aggregated across 4 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.
1.20–1.71 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
48
4 databases, 16 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.71 | 0.0000 | -3.097 | 5.12 |
| P42/mnm (No. 136) | tetragonal | 1.20 | 0.0248 | -3.072 | 4.66 |
| P6/mmm (No. 191) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 6.83 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.13 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.12 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.91 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.62 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.00 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 7.23 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.48 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.58 |
Uses
Applications
Where Tin(II) iodide is used.
Perovskite solar cell researchChemical synthesisSemiconductor material development
Reference
Frequently Asked Questions
Common questions about Tin(II) iodide, answered from cross-validated data.
What is SnI2?
Tin(II) iodide is a crystalline inorganic compound that functions as a metal halide. It is primarily utilized in the synthesis of specialized materials and serves as a precursor for the development of advanced optoelectronic devices.
More questions
What is SnI2 used for?
Tin(II) iodide (SnI2) is used in perovskite solar cell research, chemical synthesis, and semiconductor material development.
What is the band gap of SnI2?
Tin(II) iodide (SnI2) has a DFT-computed band gap of 1.20–1.71 eV across 48 reported structures.
Is SnI2 a metal, semiconductor, or insulator?
With a band gap up to 1.71 eV it is a semiconductor.
Is SnI2 thermodynamically stable?
Yes — Tin(II) iodide (SnI2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SnI2?
The lowest-energy reported polymorph of Tin(II) iodide (SnI2) is monoclinic symmetry, space group C2/m (No. 12).
What is the density of SnI2?
The computed density of the ground-state structure of Tin(II) iodide (SnI2) is 5.12 g/cm³.
How many polymorphs of SnI2 are known?
48 structures of SnI2 are reported across 4 databases, spanning 16 distinct space groups.
What elements does SnI2 contain?
Tin(II) iodide (SnI2) contains I and Sn (2 elements).
Where does the data for SnI2 come from?
SnI2 data is cross-referenced from materials_project, jarvis, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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