Structures, stabilities and magnetic properties of FeCon−1 (n≤16) clusters

► The replaced Fe atom is favorable to occupy the surface position except for FeCo13. ► The FeCon−1 clusters with n=6, 9 and 11 are more stable than the others. ► The magnetic moment is strongly correlated with the effective hybridization. ► A small change in Fe charge leads to a large reverse change in Fe magnetic moment.