• Formula : Ba(CuP2)2
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.435
    b = 18.973
    c = 10.244
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.100 eV
    Metallicity = 0.128
    Topological Z2 indices ν = (1;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 68802

Band structure with spin-orbit coupling