The next step is to assume an electrode formulation, assuming that the electrode could be manufactured by a mix of AM, binder and conductive carbon cast, dried and calendered on the current collector substrate. Here VOLTA distinguishes between electron-conducting and electroninsulating AMs, by applying an AM-rich formulation for the former (96-2-2) and a binder plus conductive carbon for the latter (85-7.5-7.5); these values are, however, user-definable. The distinction between electronic conductors and insulators is based on the DFT calculated average band gap of the phases that appear in each electrode upon cycling. The threshold value can be provided by the user, but with a caveat. The band gaps utilised have been calculated by MP with PBE-DFT , and corrected with the empirical method pointed out by Morales-García et al. . Such a correction is needed to tackle the systematic underestimation of band gaps due to the PBE level of theory. Despite the relatively low amount of training data, the method seems to predict well the experimental band gaps falling in the 1 -5 eV interval. Most of the corrected band gaps of the materials analysed in the present work fall in this interval.