phases of the 6-atom unit cells. Furthermore, for the 2H phase of the 18-atom unit cell, a total of 108 displacements were obtained. To visualize the phonon behaviour, selected phonon plots are presented below, providing insights into the vibrational characteristics of the TMDC systems (Figure ). Additionally, Fermi surface plots in 2D slices are displayed, offering valuable information about the electronic structure and the distribution of energy states near the Fermi level (Figure ).