Figure shows an Arrhenius plot for the calculated self-diffusion constants of structure B. The activation energy for the self-diffusion of the Na ions in structure B is calculated to be 0.28 ± 0.07 eV. This is below the results from experimental ion conductivity measurements in Figure . The deviation likely originates from the simulated system only representing a simplified, idealized model rather than a complex, realistic composition. Additionally, the ionic conductivity was calculated based on the Nernst-Einstein relation: