Sc2Te2

MatHub2d-1889-Sc2Te2

Property Value
Space group (129, 'P4/nmm')
Crystal system square
Magnetic Yes
Band gap (PBE) (eV) 0.00
Free energy (eV) -19.577
Free energy / atom (eV) -4.894

Lattice Parameters (basic)

a, b, c (Å): 4.862 4.862 30.000
α, β, γ (°): 90.000 90.000 90.000

Lattice Parameters (computed)

a, b, c (Å): 4.894 4.894 30.000
α, β, γ (°): 90.000 90.000 90.000
Sc2Te2
Property Value
Band gap 0.00 eV
E-fermi -2.119 eV
Vacuum level 1.808 eV
VBM -2.120 eV
CBM -2.119 eV
Work function 3.928 eV
Direct gap No
Sc2Te2
Property Value
Band gap 0.00 eV
E-fermi -2.119 eV
Vacuum level 1.808 eV
VBM -2.120 eV
CBM -2.119 eV
Work function 3.928 eV
Cij (N/m) xx yy xy
xx 17.639 13.599 0.000
yy 13.599 17.639 0.000
xy 0.000 0.000 6.011
Phonon mode at Γ point (THz)
-0.003
-0.003
-0.002
2.444
2.444
3.056
4.618
5.852
6.178
6.178
6.878
6.878

Property Value
from where c2db-813