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Formula : YSiPd
Space Group :
Pmmn (59)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 4.308
b = 13.912
c = 7.431
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 264
Band gap = 0.0 eV
Direct Gap = 0.006 eV
Metallicity = 0.889
Topological Z2 indices ν = (0;010)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 408080
Band structure with spin-orbit coupling