• Formula : Y3SbO7
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.4843
    b = 7.4252
    c = 7.4401
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 160
  • Band gap = 2.9866 eV
    Direct Gap = 3.270 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 174071

Band structure with spin-orbit coupling