CoCN

CoCN is a semiconducting cobalt-carbon-nitrogen compound that exists in a metastable state.

CCoN
Crystal structure of CoCN
Ground-state structure · Materials Project
Overview

About CoCN

CoCN is a cobalt-based compound characterized by its semiconducting electronic nature. It represents a complex chemical system that has been explored through several distinct structural configurations in computational materials research.

Due to its position above the thermodynamic hull, this material is considered metastable or unstable under standard conditions. Its study provides valuable insight into the coordination chemistry of cobalt-carbon-nitrogen systems and the challenges of synthesizing non-equilibrium phases.

At a glance

Key Properties

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

Band Gap

0.12 eV
Range across DFT structures

Energy Above Hull

0.274 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

9
3 databases, 6 space groups
Reference

Frequently Asked Questions

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

What is CoCN?

CoCN is a semiconducting cobalt-carbon-nitrogen compound that exists in a metastable state.

More questions
What is the band gap of CoCN?
CoCN has a DFT-computed band gap of 0.12 eV across 9 reported structures.
Is CoCN a metal, semiconductor, or insulator?
With a band gap up to 0.12 eV it is a semiconductor.
Is CoCN thermodynamically stable?
CoCN has a lowest energy above hull of 0.274 eV/atom (above hull).
How many polymorphs of CoCN are known?
9 structures of CoCN are reported across 3 databases, spanning 6 distinct space groups.
What elements does CoCN contain?
CoCN contains C, Co, and N (3 elements).
Where does the data for CoCN come from?
CoCN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in this database, CoCN serves as a representative example of a cobalt-bearing semiconductor that exists in a metastable state, highlighting the diversity of phases that can be modeled even when they do not represent the ground-state configuration.

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

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