C2H6I2
C2H6I2 is a metastable, insulating organic iodide used as a specialized chemical building block.
About C2H6I2
C2H6I2 is a metastable organic-iodide compound characterized by its wide-band-gap insulating electronic profile. Its structural configuration reflects a specific arrangement of carbon, hydrogen, and iodine atoms that defines its unique chemical identity within the broader landscape of iodinated hydrocarbons. Due to its metastable nature, this compound is of interest in specialized synthetic pathways where controlled reactivity is required. It serves as a building block in chemical research, leveraging its insulating properties and molecular structure for targeted material development.
Key Properties
Cross-validated computational properties for C2H6I2, 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 C2H6I2, 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 | 3.37 | 0.0682 | -4.360 | 2.66 |
| R3m (No. 160) | trigonal | 4.29 | 0.0920 | -4.336 | 0.06 |
| No. 0 | unknown | — | — | — | 0.77 |
| No. 0 | unknown | — | — | — | 0.83 |
| No. 0 | unknown | — | — | — | 0.87 |
| — | — | — | — | — | 2.93 |
Applications
Where C2H6I2 is used.
Frequently Asked Questions
Common questions about C2H6I2, answered from cross-validated data.
What is C2H6I2?
C2H6I2 is a metastable, insulating organic iodide used as a specialized chemical building block.
What is C2H6I2 used for?
What is the band gap of C2H6I2?
Is C2H6I2 a metal, semiconductor, or insulator?
Is C2H6I2 thermodynamically stable?
What is the crystal structure of C2H6I2?
What is the density of C2H6I2?
How many polymorphs of C2H6I2 are known?
What elements does C2H6I2 contain?
Where does the data for C2H6I2 come from?
How It Compares
As a unique iodinated hydrocarbon, C2H6I2 occupies a niche position in materials chemistry. Unlike more common, highly stable organic halides, its metastable state suggests a distinct role in specialized chemical synthesis where precise structural control is necessary.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze C2H6I2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →