• Formula : Y4OsBr4
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.514
    b = 12.381
    c = 6.567
    α = 90.0
    β = 90.96
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 176
  • Band gap = 0.5556 eV
    Direct Gap = 0.589 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 71513

Band structure with spin-orbit coupling