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 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 doi.org/10.17632/4ykjz4ngwt, and which is described in an article at doi.org/10.1016/j.actamat.2022.118006. Note that the A README file provides a description of the columns of the CSV file.