Rh2Se2

MatHub2d-1868-Rh2Se2

Property Value
Space group (129, 'P4/nmm')
Crystal system square
Magnetic Yes
Band gap (PBE) (eV) 0.01
Free energy (eV) -16.212
Free energy / atom (eV) -4.053

Lattice Parameters (basic)

a, b, c (Å): 3.960 3.960 30.000
α, β, γ (°): 90.000 90.000 90.000

Lattice Parameters (computed)

a, b, c (Å): 4.026 4.026 30.000
α, β, γ (°): 90.000 90.000 90.000
Rh2Se2
Property Value
Band gap 0.01 eV
E-fermi -2.548 eV
Vacuum level 1.660 eV
VBM -2.549 eV
CBM -2.540 eV
Work function 4.207 eV
Direct gap No
Rh2Se2
Property Value
Band gap 0.01 eV
E-fermi -2.548 eV
Vacuum level 1.660 eV
VBM -2.549 eV
CBM -2.540 eV
Work function 4.207 eV
Cij (N/m) xx yy xy
xx 39.390 11.225 0.000
yy 11.225 39.390 0.000
xy 0.000 0.000 -9.380
Phonon mode at Γ point (THz)
-0.003
-0.003
-0.001
3.241
3.241
3.867
6.360
6.698
6.698
6.728
6.783
6.783

Property Value
from where c2db-804