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Transition metal nitrides have attracted much interest of the scientificcommunity for their intriguing properties and technological applications. Herewe focus on yttrium dinitride (YN$_{2}$) and its formation and structuraltransition under pressure. We employed a fixed composition USPEX search to findthe most stable polymorphs. We choose yttrium as a proxy for the lanthanideseries because it has only $+3$ oxidation state, contrary to most transitionmetals. We then computed thermodynamic and dynamical stability of thesestructures compared to the decomposition reactions and we found that thecompound undergoes two structural transitions, the latter showing the formationN$_{4}$ chains. A closer look into the nature of the nitrogen bonding showedthat in the first two structures, where nitrogen forms dimers, the bond lengthis intermediate between that of a single bond and that of a double bond, makingit hard to rationalize the proper oxidation state configuration for YN$_{2}$.In the latter structure where there is the formation of N$_{4}$ chains, thebond lengths increase significantly, up to a value that can be justified as asingle bond. Finally, we also studied the electronic structure and thedynamical stability of the structures we found.

High pressure computational search of trivalent lanthanide di-nitrides