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Institute Laue–Langevin, 71 Avenue des Martyrs, Grenoble, 38042, France, Institute of Materials Chemistry, TU Wien, Vienna, A-1060, Austria, CIC EnergiGUNE, Albert Einstein 48, Miñano, Alava, 01510, Spain, Chimie du Solid et de l’Energie, UMR 8260, Collège de France, Paris, 75231, France, and LITEN, CEA-Grenoble, Grenoble, 38054, France. *Correspondence e-mail: katcho@ill.fr, rodriguez-carvajal@ill.fr, jcarrasco@cicenergigune.com

An investigation of the structural properties of Li and Na fast ion conductors using high-throughput bond-valence calculations and machine learning