C2NCl

C2NCl is a semiconducting carbon-nitrogen-chlorine compound that is currently studied for its unique structural properties despite its thermodynamic instability.

CClN
Crystal structure of C2NCl
Ground-state structure · Materials Project
Overview

About C2NCl

C2NCl is a complex carbon-nitrogen-chlorine compound that exhibits semiconducting electronic properties. Its structural configuration places it in a unique category of materials that are currently being explored for their potential in advanced electronic applications.

Because this material is found above the thermodynamic hull, it is considered likely unstable under standard conditions. Despite this, the existence of multiple reported structures across databases highlights its importance as a subject of fundamental investigation in synthetic chemistry.

At a glance

Key Properties

Cross-validated computational properties for C2NCl, aggregated across 3 databases.

Band Gap

1.52 eV
Range across DFT structures

Energy Above Hull

1.656 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

10
3 databases, 4 space groups
Uses

Applications

Where C2NCl is used.

Fundamental materials researchSemiconductor development studies
Reference

Frequently Asked Questions

Common questions about C2NCl, answered from cross-validated data.

What is C2NCl?

C2NCl is a semiconducting carbon-nitrogen-chlorine compound that is currently studied for its unique structural properties despite its thermodynamic instability.

More questions
What is C2NCl used for?
C2NCl is used in fundamental materials research and semiconductor development studies.
What is the band gap of C2NCl?
C2NCl has a DFT-computed band gap of 1.52 eV across 10 reported structures.
Is C2NCl a metal, semiconductor, or insulator?
With a band gap up to 1.52 eV it is a semiconductor.
Is C2NCl thermodynamically stable?
C2NCl has a lowest energy above hull of 1.656 eV/atom (above hull).
How many polymorphs of C2NCl are known?
10 structures of C2NCl are reported across 3 databases, spanning 4 distinct space groups.
What elements does C2NCl contain?
C2NCl contains C, Cl, and N (3 elements).
Where does the data for C2NCl come from?
C2NCl data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized compound, C2NCl represents a distinct entry in the study of carbon-based nitrogen-chlorine frameworks, serving as a critical reference point for understanding the stability and electronic behavior of metastable materials in this compositional space.

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

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