Cl4I4Sn4
Cl4I4Sn4 is a thermodynamically stable semiconducting compound composed of tin, chlorine, and iodine.
About Cl4I4Sn4
Cl4I4Sn4 is a complex inorganic halide that exists as a thermodynamically stable phase on the convex hull. Its unique composition of tin, chlorine, and iodine allows it to function as a semiconductor, making it an intriguing subject for research into specialized electronic materials.
Because it maintains structural integrity under standard conditions, this compound is a valuable candidate for further investigation in solid-state chemistry. Its existence across multiple crystallographic databases highlights its significance as a well-defined, stable material within the broader landscape of mixed-halide tin systems.
Key Properties
Cross-validated computational properties for Cl4I4Sn4, 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.
Reported Structures
Lowest-energy structures reported for Cl4I4Sn4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.51 | 0.0000 | -3.535 | 4.62 |
| — | — | — | — | — | 4.37 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Cl4I4Sn4 is used.
Frequently Asked Questions
Common questions about Cl4I4Sn4, answered from cross-validated data.
What is Cl4I4Sn4?
Cl4I4Sn4 is a thermodynamically stable semiconducting compound composed of tin, chlorine, and iodine.
What is Cl4I4Sn4 used for?
What is the band gap of Cl4I4Sn4?
Is Cl4I4Sn4 a metal, semiconductor, or insulator?
Is Cl4I4Sn4 thermodynamically stable?
What is the crystal structure of Cl4I4Sn4?
What is the density of Cl4I4Sn4?
How many polymorphs of Cl4I4Sn4 are known?
What elements does Cl4I4Sn4 contain?
Where does the data for Cl4I4Sn4 come from?
How It Compares
As a distinct mixed-halide tin compound, Cl4I4Sn4 occupies a specialized niche in materials science. It serves as a primary example of how balancing different halogen species within a tin-based framework can yield stable, semiconducting architectures that are distinct from simpler binary tin halides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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