Br2Co1O2Sr2
MatHub2d-1740-Br2Co1O2Sr2
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-7.223 |
| Free energy / atom (eV) |
-1.032 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.897 | 3.897 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.355 | 4.355 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.798 eV |
| Vacuum level |
2.014 eV |
| VBM |
-0.799 eV |
| CBM |
-0.798 eV |
| Work function |
2.813 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.798 eV |
| Vacuum level |
2.014 eV |
| VBM |
-0.799 eV |
| CBM |
-0.798 eV |
| Work function |
2.813 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
41.788 |
21.282 |
0.000 |
| yy |
21.282 |
41.788 |
0.000 |
| xy |
0.000 |
0.000 |
18.678 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
JVASP-20012 |
