• Formula : Cr(ClO2)3
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.95
    b = 7.95
    c = 7.95
    α = 97.0
    β = 97.0
    γ = 97.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 142
  • Band gap = 0.0 eV
    Direct Gap = 0.021 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallhydrate. II.Die Struktur von Chromchlorid- und Aluminiumchloridhexahydrat. _cod_database_code 1010199,
    Zeitschrift fur Kristallographie 87, 446 (1934)

Band structure with spin-orbit coupling