• Formula : CoHO2
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.855
    b = 2.855
    c = 8.805
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 60
  • Band gap = 0.7607 eV
    Direct Gap = 0.923 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Polytypism of heterogenite Note: polytype known as Heterogenite-2H Locality: Mindigi, Shaba, Zaire,
    Mineralogical Magazine 39, 152 (1973)

Band structure with spin-orbit coupling