Co2Te6

MatHub2d-1445-Co2Te6

Basic properties

Property Value
Space group (11, 'P2_1/m')
Crystal system rectangular
Magnetic Yes
Band gap (PBE) (eV) 0.00
Free energy (eV) -25.596
Free energy / atom (eV) -3.199

Lattice Parameters (basic)

a, b, c (Å): 6.120 3.591 30.000
α, β, γ (°): 90.000 90.000 90.000

Lattice Parameters (computed)

a, b, c (Å): 5.995 3.664 30.000
α, β, γ (°): 90.000 90.000 90.000

Electronic band structure (PBE)

Co2Te6
Property Value
Band gap 0.00 eV
E-fermi -0.919 eV
Vacuum level 3.737 eV
VBM -0.919 eV
CBM -0.918 eV
Work function 4.656 eV
Direct gap No

Density of States (DOS)

Co2Te6



Vacuum potential

Co2Te6
Property Value
Band gap 0.00 eV
E-fermi -0.919 eV
Vacuum level 3.737 eV
VBM -0.919 eV
CBM -0.918 eV
Work function 4.656 eV

Elastic constant

Cij (N/m) xx yy xy
xx 34.186 4.242 0.000
yy 4.242 30.093 -0.000
xy 0.000 -0.000 -2.313
Phonon mode at Γ point (THz)
-1.555
-1.259
-0.039
-0.003
-0.002
0.119
0.333
0.748
0.934
0.989
1.033
1.321
1.547
1.827
2.014
2.021
2.266
2.328
3.097
3.153
3.342
3.596
4.412
4.517

Other Properties

Property Value
from where c2db-1727