C4NCl2
C4NCl2 is a metastable, wide-band-gap insulating compound composed of carbon, nitrogen, and chlorine.
About C4NCl2
C4NCl2 is a carbon-nitrogen-chlorine compound characterized by its wide-band-gap insulating electronic nature. Due to its position above the thermodynamic hull, it is considered a metastable phase that offers unique insights into the bonding behavior of halogenated carbon-nitrogen systems.
This material is primarily of interest in fundamental materials science research where the exploration of diverse structural configurations is key. With multiple reported structures across various databases, it serves as a subject for studying the stability limits of complex molecular frameworks.
Key Properties
Cross-validated computational properties for C4NCl2, aggregated across 4 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.
Applications
Where C4NCl2 is used.
Frequently Asked Questions
Common questions about C4NCl2, answered from cross-validated data.
What is C4NCl2?
C4NCl2 is a metastable, wide-band-gap insulating compound composed of carbon, nitrogen, and chlorine.
What is C4NCl2 used for?
What is the band gap of C4NCl2?
Is C4NCl2 a metal, semiconductor, or insulator?
Is C4NCl2 thermodynamically stable?
How many polymorphs of C4NCl2 are known?
What elements does C4NCl2 contain?
Where does the data for C4NCl2 come from?
How It Compares
As a specialized compound without direct structural siblings in this context, C4NCl2 represents a distinct point in the chemical space of halogenated nitrides, serving as a benchmark for understanding the structural diversity and metastable potential of carbon-based insulating materials.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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