• Formula : Y3ReB7
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.525
    b = 15.8
    c = 9.366
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 138
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.658
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of the compounds Y3 Re B7 and its analogues,
    Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki 1976, 1029 (1976)

Band structure with spin-orbit coupling