Despite its high Li + ion conductivity, a portion of Li + ions in LGPS remains localized at octahedral sites, not contributing to Li + ion diffusion. This material exhibits highly anisotropic Li + conduction through partially occupied tetrahedral Li-sites with a low activation energy of 0.24 eV. However, the atomic origins of these characteristics remained unclear until Mo et al. shed light on the topic by conducting ab initio MD simulations, supporting the hypothesis of Li + ion diffusion along the c-direction . To gain deeper insights, Adams and Rao performed MD simulations based on derived force fields, revealing the atomistic dynamics of Li ions. They found that Li + ions are distributed along the c-direction among several interstitial Li sites. The study also indicated the possibility of PS 4 3-/GeS 4 2-rotation, which facilitates Li + dynamics through a paddle-wheel mechanism . In an effort to replace the expensive germanium (Ge) component, . A conductivity comparison Arrhenius plot is displayed in Fig. (f).