• Formula : Cu(ClO)2
  • Space Group : Pmna (53)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.38
    b = 8.04
    c = 3.72
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.938
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Crystal Structure of Cupric Chloride Dihydrate Cu Cl2 (H2 O)2 _cod_database_code 1011014,
    Zeitschrift fur Kristallographie 93, 136 (1936)

Band structure with spin-orbit coupling