• Formula : InHO2
  • Space Group : Pmn2_1 (31)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.26
    b = 4.56
    c = 3.27
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 52
  • Band gap = 2.1505 eV
    Direct Gap = 2.151 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Neutron and X-ray crystallographic studies on indium oxide hydroxide,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 24, 1662 (1970)

Band structure with spin-orbit coupling