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Citation: Che X L, Li J H, Dai Y, et al. Structural stability and magnetism of metastable Ni-Pt intermetallic compounds studied by ab initio calculation. 3 are energetically more stable than their respective competitive structures, indicating that the three structures may be formed in some appropriate conditions. The obtained results match well with the experimental observation or other theory predictions. It is found that there is hybridization between Ni 3d and Pt 5d states, which may significantly affect the structural stability and magnetism of metastable Ni-Pt intermetallic compounds.ab initio study, magnetism, metastable phases