SnCl4
tin(IV) chloride · stannic chloride, tin tetrachloride
Tin(IV) chloride is a stable, insulating inorganic compound widely used as a chemical reagent and a precursor for thin-film manufacturing.
About tin(IV) chloride
Tin(IV) chloride is a thermodynamically stable inorganic compound that exists as a wide-band-gap insulator. Its robust structural profile is well-documented, with numerous reported configurations across major materials databases, highlighting its significance in chemical research and industrial synthesis.
As a versatile reagent, this compound is primarily utilized in organic synthesis and as a precursor for the deposition of tin-based thin films. Its insulating electronic character and stable nature make it a fundamental building block for creating specialized materials in electronics and surface coatings.
Key Properties
Cross-validated computational properties for tin(IV) chloride, 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 SnCl4. 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 SnCl4, 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 | 3.56 | 0.0000 | -3.708 | 2.60 |
| — | — | 3.44 | 0.0000 | -1.239 | — |
| P21/c (No. 14) | monoclinic | 3.01 | 0.0000 | -0.895 | — |
| P21/c (No. 14) | monoclinic | 3.01 | 0.0000 | -0.895 | — |
| — | — | 3.41 | 0.0063 | -1.232 | — |
| — | — | 3.22 | 0.0065 | -1.232 | — |
| — | — | 3.38 | 0.0082 | -1.230 | — |
| — | — | 3.17 | 0.0183 | -1.220 | — |
| — | — | 2.47 | 0.0592 | -1.179 | — |
| — | — | 2.12 | 0.0750 | -1.164 | — |
| — | — | 1.98 | 0.0764 | -1.162 | — |
| — | — | 2.31 | 0.0770 | -1.162 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SnCl4.
Applications
Where tin(IV) chloride is used.
Frequently Asked Questions
Common questions about tin(IV) chloride, answered from cross-validated data.
What is SnCl4?
Tin(IV) chloride is a stable, insulating inorganic compound widely used as a chemical reagent and a precursor for thin-film manufacturing.
What is SnCl4 used for?
What is the band gap of SnCl4?
Is SnCl4 a metal, semiconductor, or insulator?
Is SnCl4 thermodynamically stable?
What is the crystal structure of SnCl4?
What is the density of SnCl4?
How many polymorphs of SnCl4 are known?
How is SnCl4 synthesized?
What elements does SnCl4 contain?
Where does the data for SnCl4 come from?
How It Compares
As a standalone representative in this context, tin(IV) chloride serves as a primary benchmark for tin-based halides, demonstrating high thermodynamic stability that defines the standard for its class.
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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