Kumar et al. developed a comprehensive interionic potential that accurately predicts the lattice constants and ionic conductivity of NZPO as a function of composition (x = 2) , as displayed in Fig. ). The study revealed that, at this composition, the number of Na + ions and available vacancies is exactly doubled, indicating that a carrier concentration of 50% yields the highest ionic conductivity, as discussed in eq. 7 . Such a balance of mobile carriers and vacancies offers the highest attainable configurational entropy, denoted as ∆S m in equation 4 . Additionally, their study elucidated the free energy landscape along the Na + ion diffusion path. Several subsequent studies have explored the influence of Si/P ordering and compositions on the conductivity and its nature, whether three-dimensional (3D) or two-dimensional (2D). Notably, the Li counterpart in this material exhibits significantly lower Li + ion diffusion, expecting the existence of an unfavorable pathway for Li + ion conduction. Two types of conduction channels have been investigated: one connecting A1 and neighboring A2 sites and the other connecting A2 to A2. In the Na 4 Zr 2 Si 3 O 12 system, a BN in the form of a trapezoid, with oxygen atoms at the corners, has been reported by Tran Qui et al. . This trapezoidal BN is wider than the triangular BN. Kumar et al. found that the triangular moderate BN radius produces the best ionic conductivity in a specific NASICON structure. Despite numerous computational studies, the identification of a saddle point at the BN remains elusive, necessitating further investigation. Furthermore, Roy and Kumar conducted a few more MD studies for the understanding of P 5+ /Si 4+ ordering in the framework anion for the Na 1+x Zr 2 Si x P 3-x O 12 (NZPO) with x = 2.0 and 1.0, where a particular an ordering in case of x = 2.0 produce order of magnitude higher diffusivity than random ordering (Fig. ), and such increasing diffusivity was reflected in the Na+ ion distribution (Fig. )) . They also found that a particular ordering of P 5+ /Si 4+ can change the type of Na conduction (2D or 3D) . . They observed a significant enhancement in Li + ion conductivity within the Ti 4+ framework (Fig.