• Formula : Sb3ClO4
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.6531
    b = 5.3059
    c = 5.5981
    α = 90.0
    β = 94.745
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 2.942 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 410039

Band structure with spin-orbit coupling