The configurations, electronic structures and magneticproperties for M n N clusters (M = Fe, Co, Ni;n = 2−12, 14, 18) are obtained using all-electron density functionaltheory calculations at the general gradient approximation level. Ondoping an N atom into the pure M n clusters, theground-state structures, binding energies of the resulting mixedclusters have changed but the average M–M bond lengthdoes not obviously change except for Fe2N, Co7N and Ni7N.The doping N atom prefers surface sites except for n = 14 and 18.The results also show the enhanced stability for M n Nclusters compared with that of the corresponding pure M n clusters. The large energy gaps between the highest occupiedmolecular orbital and the lowest unoccupied molecular orbital forFen N (n = 6,12), Con N (n = 3,5,7,9,11) and Nin N(n = 3,6,11,14) clusters indicate their high chemical inertness.Moreover, it has also been found that the total spin magneticmoments of all the M atoms increase slightly for: M =Fe, n = 9,12,14; M = Co, n = 8,9,11,18; and M = Ni,n = 3,11,12.