This folder contains data to be released with "A generative model for inorganic materials design". The top-level directories and their contents are as follows:
cifs: CIF data files for crystal structures presented in the paper.alex-mp: Alex-MP dataset used to train and fine-tune MatterGen.mp-20: MP-20 dataset (this dataset is not released with this repository and provided for convenience in reproducing our results).nanoindentaion_measurements: CSV file containing the load-depth profiles for 4 nanoindentation measurements on the TaCr2O6 sample.xrd_measurements: Contains the measured XRD profile (xrd_measurement_TaCr2O6.dat) and the Rietveld refinement FullProf file (Rietveld_refinment_TaCr2O6) for the TaCr2O6 sample.xps_measurements: Contains the XPS scan raw files of the TaCr2O6 sample in .vgd format for the whole spectra and all the peaks.