Ga1S1
MatHub2d-1776-Ga1S1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-7.426 |
| Free energy / atom (eV) |
-3.713 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.553 | 3.553 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.515 | 3.515 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.612 eV |
| Vacuum level |
0.929 eV |
| VBM |
-3.643 eV |
| CBM |
-3.608 eV |
| Work function |
4.541 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.612 eV |
| Vacuum level |
0.929 eV |
| VBM |
-3.643 eV |
| CBM |
-3.608 eV |
| Work function |
4.541 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
64.650 |
24.393 |
0.000 |
| yy |
24.393 |
64.650 |
0.000 |
| xy |
0.000 |
0.000 |
18.495 |
| Phonon mode at Γ point (THz) |
| -0.019 |
| -0.008 |
| -0.008 |
| 3.697 |
| 5.499 |
| 5.499 |
| Property |
Value |
| from where |
c2db-1490 |
