• Formula : Ni(Te4Mo3)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.102
    b = 7.1
    c = 7.028
    α = 90.82
    β = 95.73
    γ = 91.23
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 142
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.313
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 644045

Band structure with spin-orbit coupling