CH6I3NSn
CH6I3NSn is a metastable, semiconducting organic-inorganic hybrid compound used in materials science research.
About CH6I3NSn
CH6I3NSn is a complex organic-inorganic hybrid material that exhibits semiconducting electronic behavior. Its structural configuration places it within a class of materials often investigated for their optoelectronic potential and tunable physical properties.
As a metastable compound, it represents a delicate balance of chemical constituents that can be sensitive to environmental conditions. Researchers study this material to better understand the stability and performance limits of hybrid semiconductors in advanced technological applications.
Key Properties
Cross-validated computational properties for CH6I3NSn, 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 CH6I3NSn, 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 | 0.96 | 0.0318 | -4.370 | 3.45 |
| P1 (No. 1) | triclinic | 1.35 | 0.0350 | -4.367 | 3.43 |
| R3m (No. 160) | — | — | — | — | — |
| — | — | — | — | — | 3.19 |
Applications
Where CH6I3NSn is used.
Frequently Asked Questions
Common questions about CH6I3NSn, answered from cross-validated data.
What is CH6I3NSn?
CH6I3NSn is a metastable, semiconducting organic-inorganic hybrid compound used in materials science research.
What is CH6I3NSn used for?
What is the band gap of CH6I3NSn?
Is CH6I3NSn a metal, semiconductor, or insulator?
Is CH6I3NSn thermodynamically stable?
What is the crystal structure of CH6I3NSn?
What is the density of CH6I3NSn?
How many polymorphs of CH6I3NSn are known?
What elements does CH6I3NSn contain?
Where does the data for CH6I3NSn come from?
How It Compares
As a unique hybrid semiconductor, CH6I3NSn serves as a specialized subject of study within the broader landscape of organic-inorganic materials. While it lacks direct siblings in this specific dataset, it functions as a critical example of how structural complexity influences the electronic stability of hybrid systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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