Databases with structures used for "Improving the Activity of M-N4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption"

DFT optimised structures used for the paper "Improving the Activity of M-N₄ Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption". There is a separate database for structures with Cr, Mn, Fe and Co as the central metal atom in the M-N4 motif, and one with the molecular references. The structures can be retrieved using the Atomic Simulation Environment (ASE).