• Formula : Co2B4Mo
  • Space Group : Immm (71)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.079
    b = 12.57
    c = 3.018
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.028 eV
    Metallicity = 0.603
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Molybdenum-cobalt-boron system,
    Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 2, 1709 (1966)

Band structure with spin-orbit coupling