Dataset for "Studying GPI zones in Al-Zn-Mg alloys by 4D-STEM"

This dataset contains the data used in the publication titled "Studying GPI zones in Al-Zn-Mg alloys by 4D-STEM" currently in review in Materials Characterization. The data in this dataset are: Raw SPED data All structural models used in the density functional theory (DFT) calculations The raw SPED data are given as .mib- and .hdr files and can be opened using e.g. the Python package HyperSpy. The jupyter notebook used to analyse the data is available from 10.5281/zenodo.5518852. A total of five SPED datasets were used in the analysis and are included in the .zip-file. The DFT calculations are given in the OUTCAR files. OUTCAR1 contains all the information about the initial relaxation. OUTCAR2 contains all the information about the final relaxations steps at a higher accuracy than OUTCAR1. OUTCAR3 contains all the information about the accurate energy calculations.