• Formula : Ga2Os
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.242
    b = 4.74
    c = 8.747
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 84
  • Band gap = 0.5627 eV
    Direct Gap = 0.794 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New phases in the Re-Ga and Os-Ga syastems, obtained at high pressure,
    Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 18, 205 (1982)

Band structure with spin-orbit coupling