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 |
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 |
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 |