I6S4Sb2Sn4
I6S4Sb2Sn4 is a metastable semiconducting material composed of iodine, sulfur, antimony, and tin.
About I6S4Sb2Sn4
I6S4Sb2Sn4 is a complex quaternary compound composed of iodine, sulfur, antimony, and tin. It exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating specialized electronic materials. As a metastable phase, this compound requires careful synthesis conditions to stabilize its structure. Its existence across multiple databases highlights its role as a distinct material within the broader landscape of chalcogenide-halide systems.
Key Properties
Cross-validated computational properties for I6S4Sb2Sn4, 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 I6S4Sb2Sn4, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.07 | 0.0559 | -3.754 | 4.73 |
| Cmcm (No. 63) | orthorhombic | 0.63 | 0.0889 | -3.721 | 5.29 |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 4.01 |
Applications
Where I6S4Sb2Sn4 is used.
Frequently Asked Questions
Common questions about I6S4Sb2Sn4, answered from cross-validated data.
What is I6S4Sb2Sn4?
I6S4Sb2Sn4 is a metastable semiconducting material composed of iodine, sulfur, antimony, and tin.
What is I6S4Sb2Sn4 used for?
What is the band gap of I6S4Sb2Sn4?
Is I6S4Sb2Sn4 a metal, semiconductor, or insulator?
Is I6S4Sb2Sn4 thermodynamically stable?
What is the crystal structure of I6S4Sb2Sn4?
What is the density of I6S4Sb2Sn4?
How many polymorphs of I6S4Sb2Sn4 are known?
What elements does I6S4Sb2Sn4 contain?
Where does the data for I6S4Sb2Sn4 come from?
How It Compares
As a unique quaternary system, I6S4Sb2Sn4 represents an specialized niche in materials science. Without direct siblings in this specific chemical family, it serves as an important reference point for understanding how the integration of heavy metallic elements with chalcogens and halides influences structural stability and electronic transport.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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