This repo contains the dataset generated from a fine-tuned MLIP for all inorgnaic double perovksites with the chemical formula, AA'BB'X6.
-Data_sets - Data sets used during the training and testing of the MLIP
-Results - Results from testing and applying the model with date the results were obtained.
The datasets are labeled based on the number of structures and the geometry. All datasets are double perovksites, AA'BB'X6 chemical formula.