C4Cl4F16I4
C4Cl4F16I4 is a complex, semiconducting polyhalogenated carbon compound characterized by its multiple halogen substituents and metastable nature.
About C4Cl4F16I4
C4Cl4F16I4 is a highly complex polyhalogenated carbon compound containing chlorine, fluorine, and iodine. Due to the diverse electronegativities of its constituent halogens, it exhibits semiconducting electronic behavior, making it a subject of interest for specialized chemical research and structural analysis.
As a material that sits above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its existence in multiple reported structures across databases highlights its role as a niche candidate for investigating high-density halogen bonding and complex molecular packing arrangements.
Key Properties
Cross-validated computational properties for C4Cl4F16I4, 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 C4Cl4F16I4, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 2.68 | 0.1352 | -4.449 | 2.93 |
| — | — | — | — | — | 2.91 |
| Cmce (No. 64) | — | — | — | — | — |
Applications
Where C4Cl4F16I4 is used.
Frequently Asked Questions
Common questions about C4Cl4F16I4, answered from cross-validated data.
What is C4Cl4F16I4?
C4Cl4F16I4 is a complex, semiconducting polyhalogenated carbon compound characterized by its multiple halogen substituents and metastable nature.
What is C4Cl4F16I4 used for?
What is the band gap of C4Cl4F16I4?
Is C4Cl4F16I4 a metal, semiconductor, or insulator?
Is C4Cl4F16I4 thermodynamically stable?
What is the crystal structure of C4Cl4F16I4?
What is the density of C4Cl4F16I4?
How many polymorphs of C4Cl4F16I4 are known?
What elements does C4Cl4F16I4 contain?
Where does the data for C4Cl4F16I4 come from?
How It Compares
As a unique polyhalogenated carbon species, this compound represents an outlier in chemical space, serving as a distinct example of how heavy halogen substitution influences molecular stability and electronic structure compared to simpler perfluorinated or perchlorinated carbon frameworks.
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).
Analyze C4Cl4F16I4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →