Data for "Lattice vacancy migration barriers in Fe-Ni alloys, and an indication as to why Ni atoms diffuse slowly: A first-principles study"

Dataset associated with "Lattice vacancy migration barriers in Fe-Ni alloys, and an indication as to why Ni atoms diffuse slowly: A first-principles study". Version 2 contains additional data relating to calculation of vacancy formation energies (enthalpies).本数据集关联论文《铁镍合金中的晶格空位迁移势垒及镍原子扩散缓慢的机理探究：一项第一性原理研究》。版本2包含了与空位形成能（焓）计算相关的补充数据。