• Formula : Sc2Sb
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.211
    b = 4.211
    c = 7.814
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 54
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.836
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of discandium antimonide, Sc~2~Sb,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 217, 19 (2002)

Band structure with spin-orbit coupling