Dataset for the publication: Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium-Ion Batteries

This dataset contains all input and output files of the performed calculations, which results were published in the ChemSusChem article: 'Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium-Ion Batteries' (https://doi.org/10.1002/cssc.202201821). A preprint of the publication is further available under: https://doi.org/10.26434/chemrxiv-2022-3chph.