Ab initio study on Quasi-Binary Acetonitriletriide Sr${}_3$[C${}_2$N]${}_2$

James Sifuna, George S. Manyali, Elicah Wabululu +3

We report using density functional theory (DFT), the ground-state properties of the recently synthesized and characterized Sr${}_3$[C${}_2$N]${}_2$ crystal. The nearly colorless, centros…