• Formula : Cd4Cu7As
  • Space Group : Pnnm (58)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.8833
    b = 7.1251
    c = 5.0895
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 260
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.349
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Cd4Cu7As, The First Representative of a Fully Ordered, Orthorhombically Distorted MgCu2 Laves Phase,
    Inorganic Chemistry 51, 8119 (2012)

Band structure with spin-orbit coupling