CIN

CIN is an insulating, structurally diverse chemical compound containing carbon, iodine, and nitrogen that is currently characterized by its thermodynamic instability.

CIN
Crystal structure of CIN
Ground-state structure · Materials Project
Overview

About CIN

CIN is a complex inorganic compound composed of carbon, iodine, and nitrogen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of materials that do not readily conduct electricity under ambient conditions.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable, suggesting that it may require specific synthesis conditions to be realized. Despite its challenging stability, the existence of multiple reported structures indicates a significant interest in the structural diversity of this chemical system.

At a glance

Key Properties

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

Band Gap

4.40 eV
Range across DFT structures

Energy Above Hull

0.411 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

8
3 databases, 4 space groups
Reference

Frequently Asked Questions

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

What is CIN?

CIN is an insulating, structurally diverse chemical compound containing carbon, iodine, and nitrogen that is currently characterized by its thermodynamic instability.

More questions
What is the band gap of CIN?
CIN has a DFT-computed band gap of 4.40 eV across 8 reported structures.
Is CIN a metal, semiconductor, or insulator?
With a wide band gap up to 4.40 eV it is an insulator / wide-band-gap material.
Is CIN thermodynamically stable?
CIN has a lowest energy above hull of 0.411 eV/atom (above hull).
How many polymorphs of CIN are known?
8 structures of CIN are reported across 3 databases, spanning 4 distinct space groups.
What elements does CIN contain?
CIN contains C, I, and N (3 elements).
Where does the data for CIN come from?
CIN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique chemical entity, CIN represents a distinct combination of elements that does not currently have a well-defined class of siblings, placing it in a specialized category of carbon-based nitrogen-iodide materials that are primarily studied for their fundamental structural properties.

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

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