• Formula : CuBi(WO4)2
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.074
    b = 6.083
    c = 5.006
    α = 112.45
    β = 91.86
    γ = 110.28
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 130
  • Band gap = 0.9085 eV
    Direct Gap = 0.914 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 67569

Band structure with spin-orbit coupling