fig17
Figure 17. (A) The partial charge distributions of MIL-125, ML-MIL-125, and MC-MIL-125; (B) The 3D spatial spin polarizations of MIL-125, ML-MIL-125, and MC-MIL-125 (yellow and green represent spin-up and spin-down density, respectively); (C) Calculated total density of states (DOS) of MIL-125 and MC-MIL-125. Reproduced with permission Ref.[148] Copyright 2023 Elsevier.
