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The effects of the Y substitution for Gd on the structural stability and the site preference of intermetallics Gd3−xYxCo29T4B10 (T=Al and Ge) are studied by using a series of interatomic pair potentials. The calculated results show Y can stabilize Gd3−xYxCo29T4B10 with the tetragonal structure, and Y substitute for Gd with a strong preference for the 2b sites. The calculated lattice parameters are...
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