Figure 2
From: Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme
Energetics results.
(a) Relative energies of the structures obtained in this work for Li2MnSiO4 (LMS), Li2FeSiO4 (LFS), Li2CoSiO4 (LCS) and Na2MnSiO4 (NMS), Na2FeSiO4 (NFS), Na2CoSiO4 (NCS). Triangles (green) indicate the structures with layered 2D-framework and diamonds (blue) indicate the structures with 3D M-Si-O framework. Structures that have been reported in the literature are shown in red color and also labeled by their space groups. For the two LFS Pn phases, the lower-energy one corresponds to the Pmn21-cycled phase with 2 formula units and the higher-energy one corresponds to the P21/n-cycled phase with 4 formula units. (b) Relative energies of the most stable structures with 3D, 2D and 1D M-Si-O framework for each system. Energy of the ground state structure for each system is set to 0 eV as reference in (a,b).
