• Formula : NbPt3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.87
    b = 5.537
    c = 9.268
    α = 90.0
    β = 100.2
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 172
  • Band gap = 0.0 eV
    Direct Gap = 0.046 eV
    Metallicity = 0.868
    Topological Z2 indices ν = (0;010)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 54283

Band structure with spin-orbit coupling