• Formula : Cr(ClO)2
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.445
    b = 4.971
    c = 7.175
    α = 90.0
    β = 106.478
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 2.337 eV
    Metallicity = 1.000
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 416750

Band structure with spin-orbit coupling