The atomic structure model of phase Zr₂Ni containing icosahedron cluster in Zr-based amorphous alloys were constructed by computer programming.The icosahedron cluster in Zr-based amorphous alloys was simulated by using the icosahedral cluster with a Ni atom at the center and 12 Zr(or partly replaced by Nb,Ta ,Ti,V)atoms as nearest neighbors in Zr₂Ni primary precipitatiion phase.The LDOS curves of alloying element which substituted the atoms at the center or at the corner of icosahedron cluster,the total bond order integral(∑BOI)between the center Ni atom and its neighbor(Zr,Nb,Ta,Ti,V)in the icosahedron cluster,and the Fermi levels of the icosahedron cluster containing alloying elements were calculated.The results showed that the  ∑BOI is decreased by Nb,Ta,Ti,V substituting Zr,which reduces the glass forming ability of Zr-based amorphous alloys,but Nb,Ta has little influence on the GFA of the alloys.The Fermi levels of icosahedron cluster go up by Nb,V substituting Zr,which suggests that Nb,V enables Zr-based amorphous easy to passive and improves its corrosion resistance.The case of Ta is near to the Zr′s,so Ta has little influence on the corrosion resistance of the alloys.Ti reduces the passivation ability of the Zr-base amorphous alloys.Therefore,Nb are effective for enhancing the glass forming ability and corrosion resistance of Zr-based amorphous alloys.By addition of minor Nb,the new bulk Zr-based amorphous alloys with good corrosion resistance may be prepared.