This finding contradicts the common approach of sequentially occupying the sodium positions associated with Prussian Blue. Rather the positions appear to be strongly degenerate for all intermediate concentrations that do not lie on the convex hull. In Table , the most stable structures are further compared with regard to their lattice constant and angles, unit cell volume, averaged magnetization on the iron center, and the calculated mixing energy per formula unit. As seen in earlier studies, the calculated lattice constants and the unit cell volume do not reproduce experimental findings by not significantly changing from the fully desodiated state to the half-sodiated state. In the calculations, the electrostatic attraction between the intercalated charge carriers and the framework is equal to the volume expansion caused by the increased occupancy of the 24d site. Going from Prussian Blue to Prussian White, the lattice constants then expand by The mixing energies presented in Table serve as an additional representation of the most stable geometries illustrated in Figure , providing precise numerical values for these geometries. It should be noted, that we observe the mixing energies to be almost perfectly mirrored at the Prussian Blue structure (x = 1). This mirrored trend indicates that the concentration difference to the Prussian Blue structure might be a good indicator for the structural stability of these systems.