The dynamic stabilities of the new allotropes were confirmed by the positive values of the phonon frequencies. The corresponding phonon band structures were obtained from a high resolution of the tetragonal Brillouin zones according to Togo et al. . The electronic band structures were obtained using the all-electron DFT based ASW method and the GGA XC functional . The VESTA (Visualization for Electronic and STructural Analysis) program was used to visualize the crystal structures and charge densities.