• Formula : ZrMnTlF7
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.45
    b = 8.25
    c = 6.459
    α = 90.0
    β = 118.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 162
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.722
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 78041

Band structure with spin-orbit coupling