• Formula : ScGa2
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.14
    b = 6.614
    c = 7.914
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.639
    Topological Z2 indices ν = (1;101)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of the Sc Ga2 compound,
    Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki 42, 91 (1980)

Band structure with spin-orbit coupling