Mn2O4
MatHub2d-1610-Mn2O4
| Property |
Value |
| Space group |
(59, 'Pmmn') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-41.303 |
| Free energy / atom (eV) |
-6.884 |
Lattice Parameters (basic)
| a, b, c (Å): | 2.784 | 3.705 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 2.900 | 3.865 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-5.767 eV |
| Vacuum level |
2.086 eV |
| VBM |
-5.767 eV |
| CBM |
-5.766 eV |
| Work function |
7.852 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-5.767 eV |
| Vacuum level |
2.086 eV |
| VBM |
-5.767 eV |
| CBM |
-5.766 eV |
| Work function |
7.852 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
162.952 |
28.634 |
0.000 |
| yy |
28.634 |
90.617 |
0.000 |
| xy |
0.000 |
0.000 |
47.947 |
| Phonon mode at Γ point (THz) |
| -0.068 |
| -0.031 |
| -0.011 |
| 4.193 |
| 4.287 |
| 4.864 |
| 6.597 |
| 8.164 |
| 8.877 |
| 9.519 |
| 9.996 |
| 10.323 |
| 10.430 |
| 11.984 |
| 13.986 |
| 14.063 |
| 14.222 |
| 15.343 |
| Property |
Value |
| from where |
shu-34 |
