• Formula : CoSO4
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.67
    b = 6.7
    c = 4.75
    α = 90.0
    β = 96.4
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 94
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.773
    Topological Z2 indices ν = (1;010)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Polymorphism in anhydrous cobalt sulphate,
    Acta Crystallographica (1,1948-23,1967) 18, 737 (1965)

Band structure with spin-orbit coupling