Antisite defects are the intrinsic defects for intermetallic compounds, affecting the materials’ mechanical, physical and chemical properties, and serving as a decisive structural factor to the properties under certain condition. Firstly, the theories for antisite defect study are reviewed, in which the physical and chemical aspects of antisite defect are generally studied by first principle and molecule dynamic methods based on quantum physics, while the temporal-evolution aspects linking to the microstructures are studied using microscopic phase field method based on Ginzburg-Landau equation. Secondly, the graphical demonstration of the antisite defect-diffusion mechanism relation explains the contribution as well as the potential harm of antisite defect to intermetallic structural materials. Finally, the authors summarize the research progress of antisite defect study on L12 and B2 structure as well as the site preference study of dopants, and conclude the deficit about antisite study.