• Formula : CoAs2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.12
    b = 5.86
    c = 6.24
    α = 90.0
    β = 90.6
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.179 eV
    Metallicity = 0.012
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure cristalline de CoAs2,
    Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 89, 213 (1966)

Band structure with spin-orbit coupling