• Formula : Sc(FeSi)2
  • Space Group : Pbcm (57)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.47
    b = 7.108
    c = 5.018
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 140
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.494
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 633456

Band structure with spin-orbit coupling