title: Crystallographic information of intermediate phases in binary Mg-X (X=Sn, Y, Sc, Ag) alloys.
abstract: The compositions and structures of thermodynamically stable or metastable precipitations in binary Mg-X (X=Sn, Y, Sc, Ag) alloys are predicted using ab-initio evolutionary algorithm. The geometry optimizations of the predicted intermetallic compounds are carried out in the framework of density functional theory (DFT) [1]. A complete list of the optimized crystallographic information (in cif format) of the predicted intermetallic phases is presented here. The data is related to "Predictions on the compositions, structures, and mechanical properties of intermediate phases in binary Mg-X (X=Sn, Y, Sc, Ag ) alloys" by Liu et al. [2].
authors.affiliation: College of Sciences, Northeastern University, Shenyang 110819, China.
authors.forename: Dongyan
authors.initials: D
authors.lastname: Liu
authors.affiliation: College of Sciences, Northeastern University, Shenyang 110819, China.
authors.forename: Xuefeng
authors.initials: X
authors.lastname: Dai
authors.affiliation: Key Laboratory for Anisotropy and Texture of Materials (MOE), Northeastern University, Shenyang 110819, China.
authors.forename: Xiaohong
authors.initials: X
authors.lastname: Wen
authors.affiliation: Key Laboratory for Anisotropy and Texture of Materials (MOE), Northeastern University, Shenyang 110819, China.
authors.forename: Gaowu
authors.initials: G
authors.lastname: Qin
authors.affiliation: College of Sciences, Northeastern University, Shenyang 110819, China ; Key Laboratory for Anisotropy and Texture of Materials (MOE), Northeastern University, Shenyang 110819, China.
authors.forename: Xiangying
authors.initials: X
authors.lastname: Meng