• Formula : Ta
  • Space Group : P-42_1m (113)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 10.201
    b = 10.201
    c = 5.3075
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 286
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.850
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 54206

Band structure with spin-orbit coupling