The geometries，total energies，and frequencies of ZrnFe(n=2—13)clusters have been systematically investigated by using density functional theory with the generalized gradient approximation, and the equilibrium geometries at different spin multiplicities as well as the ground-state structures have been determined. The calculated results of the averaged binding energy, the second-order difference of cluster energies as well as the HOMO-LUMO gap of the ZrnFe(n=2—13) clusters indicate that the relative stabilities of Zr5Fe, Zr7Fe and Zr12Fe are stronger than that of other sized clusters. The true ground state for Zr12Fe cluster has icosahedral structure with Ih symmetry, and moreover, the stability of Zr12Fe is strongest among all the investigated clusters. In addition, not only the relative stabilities of Zr5Fe, Zr7Fe and Zr12Fe clusters are stronger than other sized clusters, but also they are all magnetic clusters (however, the magnetic moment of Zrn clusters is quenched for n≥5), thus it can be seen thant we can acquire magnetic clusters with higher stabilities by choosing appropriate doping atom. Mulliken population analysis shows that there is a weak charge transfer from Zr atoms to Fe atom except for Zr12Fe cluster, in which a small amount of charge transfers from Fe atom to Zr atoms.