This repository contains work on the generation of solid solutions.
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Li2TiS.ipynb is the data analysis notebook for the publication Rocca, R, Sgroi, M.F., Camino B. et al. "Disordered rock-salt type Li2TiS3 as novel cathode for LIBs: a computational point of view", submitted (link to come soon).
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Classification_ML.ipynb is the work currently being carried out on a novel ML based approach to ML simulations.
All data used for these notebooks can be dound in the data folder.