Novel lithium-nitrogen compounds at ambient and high pressures

Yanqing Shen, Artem R. Oganov, Guangri Qian +3

Using ab initio evolutionary simulations, we predict the existence of five novel stable Li-N compounds at pressures from 0 to 100 GPa (Li13N, Li5N, Li3N2, LiN2, and LiN5). Structur…