Supplemental Materials for "First-principles study of pressure-induced superconductivity and structural design in transition metal diborides"

The supplementary materials provide the band structure of AlB2-type transition metal borides, as well as phonon spectra, vibrational modes of the soft phonon modes in MoXB4, stability calculations of the Nb positions in MoNbB4, and the thermal stability of MoXB4, WXB4, and TcXB4.