Mn2Se4
MatHub2d-1613-Mn2Se4
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-30.064 |
| Free energy / atom (eV) |
-5.011 |
Lattice Parameters (basic)
| a, b, c (Å): | 5.642 | 3.302 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 6.324 | 3.676 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.636 eV |
| Vacuum level |
1.956 eV |
| VBM |
-3.637 eV |
| CBM |
-3.636 eV |
| Work function |
5.592 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.636 eV |
| Vacuum level |
1.956 eV |
| VBM |
-3.637 eV |
| CBM |
-3.636 eV |
| Work function |
5.592 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
154.053 |
56.810 |
0.000 |
| yy |
56.810 |
109.275 |
0.000 |
| xy |
0.000 |
0.000 |
-14.900 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1880 |
