• Formula : BiOsSe
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.52
    b = 6.46
    c = 6.57
    α = 90.0
    β = 113.8
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 148
  • Band gap = 0.3781 eV
    Direct Gap = 0.641 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 616892

Band structure with spin-orbit coupling