Segregation Energy Spectra of Co in Aluminum Grain Boundaries that span the 5D space of Crystallographic Character

This dataset provides segregation energy spectra information for cobalt solute in 7272 aluminum grain boundaries that span the 5D space of crystallographic character. The dataset and some of its characteristics are described in detail in https://doi.org/10.1016/j.actamat.2024.120448. The information about the segregation energy spectra are included in a CSV file. Each GB is identified by a computeID that is listed in the CSV file. The crystallographic character and selected properties for each GB, as well as its structure, are available in another dataset at https://doi.org/10.17632/4ykjz4ngwt, and which is described in an article at https://doi.org/10.1016/j.actamat.2022.118006. Note that the A README file provides a description of the columns of the CSV file.本数据集提供了7272铝合金晶界中钴溶质的偏聚能谱信息，所涉晶界覆盖了晶体学特征的5维空间。本数据集及其部分特征已在https://doi.org/10.1016/j.actamat.2024.120448中进行了详细阐述。偏聚能谱相关信息存储于CSV文件中，每个晶界均通过该CSV文件内列出的computeID进行标识。各晶界的晶体学特征、选定属性及其结构，可在另一数据集https://doi.org/10.17632/4ykjz4ngwt中获取，该数据集的相关内容已在https://doi.org/10.1016/j.actamat.2022.118006的学术论文中进行了说明。请注意，本数据集附带的README文件对CSV文件的各列字段进行了详细说明。