• Formula : Sc
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.73
    b = 4.73
    c = 3.18
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.368
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-pressure phase transformation in scandium Locality: synthetic Sample: at P = 33.5 GPa,
    Physical Review B 25, 6019 (1982)

Band structure with spin-orbit coupling