Home
Formula : Zr
4
NiP
Space Group :
P4/mcc (124)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 6.444
b = 6.444
c = 5.326
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 62
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.580
Topological Z2 indices ν = (0;110)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 646191
Band structure with spin-orbit coupling