“…24 The dopant metals were selected based on a combination of probabilistic model, crystal-near-neighbor (CrystalNN), which is implemented in the Pymatgen library, and available literature reports. [25][26][27][28][29] From many candidates in periodic tables, we selectively applied seven different dopant metals (Zn, Al, Bi, Co, Ni, Fe and Cu) that were verified as an efficient medium in LIB cathode materials. 30 To identify the suitable doping level in K x MnO 2 , thereafter, the combined ML and DFT prediction was further performed in the dopants concentration of 0, 0.1 and 0.2.…”