SnBr4
Tin(IV) bromide · Stannic bromide
Tin(IV) bromide is a stable, semiconducting inorganic halide used primarily as a chemical reagent and synthetic precursor.
About Tin(IV) bromide
Tin(IV) bromide is a binary halide compound that exists as a thermodynamically stable phase on the convex hull. Its semiconducting electronic character makes it an interesting subject for structural and chemical investigations, supported by a significant body of reported experimental and theoretical data. The compound serves as a versatile building block in inorganic synthesis and coordination chemistry. Due to its specific bonding nature, it is frequently employed as a reagent in the preparation of organotin compounds and as a precursor in thin-film material processing.
Key Properties
Cross-validated computational properties for Tin(IV) bromide, 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 SnBr4. 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 SnBr4, 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. |
|---|---|---|---|---|---|
| — | — | 2.83 | 0.0000 | -0.959 | — |
| P21/c (No. 14) | monoclinic | 2.71 | 0.0000 | -3.229 | 3.68 |
| P21/c (No. 14) | monoclinic | 2.22 | 0.0000 | -0.630 | — |
| — | — | 2.44 | 0.0100 | -0.949 | — |
| — | — | 2.56 | 0.0101 | -0.949 | — |
| — | — | 1.56 | 0.0824 | -0.876 | — |
| — | — | 1.49 | 0.0873 | -0.871 | — |
| — | — | 1.03 | 0.1046 | -0.854 | — |
| — | — | 0.37 | 0.2398 | -0.719 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.92 |
| Cm (No. 8) | monoclinic | — | — | — | 4.73 |
| C2/m (No. 12) | monoclinic | — | — | — | 9.38 |
Applications
Where Tin(IV) bromide is used.
Frequently Asked Questions
Common questions about Tin(IV) bromide, answered from cross-validated data.
What is SnBr4?
Tin(IV) bromide is a stable, semiconducting inorganic halide used primarily as a chemical reagent and synthetic precursor.
What is SnBr4 used for?
What is the band gap of SnBr4?
Is SnBr4 a metal, semiconductor, or insulator?
Is SnBr4 thermodynamically stable?
What is the crystal structure of SnBr4?
What is the density of SnBr4?
How many polymorphs of SnBr4 are known?
What elements does SnBr4 contain?
Where does the data for SnBr4 come from?
How It Compares
As a stable binary halide, tin(IV) bromide represents a foundational member of the stannic halide family, serving as a critical reference point for understanding the structural and electronic trends within this group of materials.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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