“…Detailed insights into the structure of Li x Mn 2 O 4 have been gained in various experiments, e. g. X-ray diffraction, transmission electron microscopy and atom probe tomography. [11,12] Theoretical studies are able to provide complementary information, for example, about the underlying atomistic processes of the phase transitions or about the Li diffusion pathways. However, the underlying electronic structure of Li x Mn 2 O 4 is very complex due to the large number of energetically close electronic and magnetic states.…”