Mn2P2Rb2
MatHub2d-1812-Mn2P2Rb2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-28.133 |
| Free energy / atom (eV) |
-4.689 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.813 | 3.813 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.388 | 4.388 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
0.244 eV |
| Vacuum level |
1.226 eV |
| VBM |
0.243 eV |
| CBM |
0.245 eV |
| Work function |
0.982 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
0.244 eV |
| Vacuum level |
1.226 eV |
| VBM |
0.243 eV |
| CBM |
0.245 eV |
| Work function |
0.982 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
21.561 |
7.441 |
0.000 |
| yy |
7.441 |
21.561 |
0.000 |
| xy |
0.000 |
0.000 |
16.791 |
| Phonon mode at Γ point (THz) |
| -2.263 |
| -2.263 |
| -0.133 |
| -0.008 |
| -0.008 |
| 1.783 |
| 1.783 |
| 1.845 |
| 2.104 |
| 2.104 |
| 2.717 |
| 4.210 |
| 4.210 |
| 4.604 |
| 4.604 |
| 4.623 |
| 4.848 |
| 5.966 |
| Property |
Value |
| from where |
JVASP-6676 |
