The raw ICSD-2017 data used in this study is available at https://www.github.com/lrcfmd/PhaseFieldRanking. The distribution of the phase fields’ rankings, computed phase field’s energy profile (convex hull) and experimental data generated in this study are available here. The X-ray crystallographic coordinates for the structure reported in this study have been deposited at the Cambridge Crystallographic Data Centre (CCDC), under deposition number 2023329. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif. The code (implementation of VAE and Phase Field Ranking method) developed for this work is available at https://www.github.com/lrcfmd/PhaseFieldRanking. https://doi.org/10.5281/zenodo.5113851