CClF

CClF is a wide-band-gap insulating compound composed of carbon, chlorine, and fluorine that is considered likely to be synthesizable.

CClF
Overview

About CClF

CClF is a carbon-based compound featuring chlorine and fluorine substituents. As a wide-band-gap insulator, it exhibits electronic properties characteristic of highly stable, non-conductive molecular or crystalline frameworks. Its structural diversity is highlighted by multiple reported configurations across scientific databases.

Because it is identified as a near-hull material, CClF is considered a prime candidate for experimental synthesis. Its composition offers a distinct chemical environment that is of interest for fundamental studies in material stability and structural chemistry.

At a glance

Key Properties

Cross-validated computational properties for CClF, aggregated across 3 databases.

Band Gap

5.71 eV
Range across DFT structures

Energy Above Hull

0.019 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

9
3 databases, 6 space groups
Uses

Applications

Where CClF is used.

Fundamental materials researchChemical structural analysisComputational chemistry modeling
Reference

Frequently Asked Questions

Common questions about CClF, answered from cross-validated data.

What is CClF?

CClF is a wide-band-gap insulating compound composed of carbon, chlorine, and fluorine that is considered likely to be synthesizable.

More questions
What is CClF used for?
CClF is used in fundamental materials research, chemical structural analysis, and computational chemistry modeling.
What is the band gap of CClF?
CClF has a DFT-computed band gap of 5.71 eV across 9 reported structures.
Is CClF a metal, semiconductor, or insulator?
With a wide band gap up to 5.71 eV it is an insulator / wide-band-gap material.
Is CClF thermodynamically stable?
CClF has a lowest energy above hull of 0.019 eV/atom (near hull (likely stable)).
How many polymorphs of CClF are known?
9 structures of CClF are reported across 3 databases, spanning 6 distinct space groups.
What elements does CClF contain?
CClF contains C, Cl, and F (3 elements).
Where does the data for CClF come from?
CClF data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in its chemical class, CClF serves as a foundational example of carbon-halogen bonding configurations. Without direct structural siblings in this specific dataset, it stands as an independent subject for investigating the interplay between electronegative substituents and carbon-based lattice stability.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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