Br2Mn2S2
MatHub2d-1210-Br2Mn2S2
| Property |
Value |
| Space group |
(59, 'Pmmn') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-29.676 |
| Free energy / atom (eV) |
-4.946 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.516 | 4.930 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.646 | 4.944 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.943 eV |
| Vacuum level |
2.653 eV |
| VBM |
-3.945 eV |
| CBM |
-3.943 eV |
| Work function |
6.596 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.943 eV |
| Vacuum level |
2.653 eV |
| VBM |
-3.945 eV |
| CBM |
-3.943 eV |
| Work function |
6.596 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
48.110 |
9.208 |
0.000 |
| yy |
9.208 |
18.372 |
0.000 |
| xy |
0.000 |
0.000 |
18.136 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-200 |
