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To search for proper alternatives to improve the magnetic properties of Nd2Fe14B,using first-principles density functional theory calculations we have systematically studied the R2M14B(R = lanthanides from La to Lu;M = Mn,Fe,Co,and Ni)compounds with the isomorphic structure of Nd2Fe14B.The results show that for rare-earth elements,Pr is the most suitable choice for considering as an alternative of Nd.As for the substitution of Fe in Nd2Fe14B by other transition-metal elements,Co is much more suitable than Mn and Ni because the latter two result in too significant reduction of the magnetic moment.