What are the possible structures for CNx compounds? The example of C3N

Abstract It has been proposed that carbon nitride compounds could present abnormal mechanical properties. Until now, these compounds have only been synthesized as amorphous films and the search for their structure is a live topic. Using ab-initio calculations, we propose a few stable structures which could be in dynamical equilibrium. We suggest that CN x ( x =0.33) structural arrangements dynamically equilibrate over the time which is necessary to perform a structural measurement and that more than one structure could be needed to describe them.