As2Mn2Rb2
MatHub2d-1725-As2Mn2Rb2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-21.286 |
| Free energy / atom (eV) |
-3.548 |
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): | 4.523 | 4.523 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
0.626 eV |
| Vacuum level |
-2.129 eV |
| VBM |
0.626 eV |
| CBM |
0.627 eV |
| Work function |
-2.755 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
0.626 eV |
| Vacuum level |
-2.129 eV |
| VBM |
0.626 eV |
| CBM |
0.627 eV |
| Work function |
-2.755 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
18.671 |
2.483 |
-0.000 |
| yy |
2.483 |
18.671 |
0.000 |
| xy |
-0.000 |
0.000 |
13.637 |
| Phonon mode at Γ point (THz) |
| -1.887 |
| -1.887 |
| -0.035 |
| -0.035 |
| -0.014 |
| 1.565 |
| 1.565 |
| 1.685 |
| 2.115 |
| 2.115 |
| 2.133 |
| 3.000 |
| 3.000 |
| 3.224 |
| 3.224 |
| 3.228 |
| 4.171 |
| 4.783 |
| Property |
Value |
| from where |
JVASP-6652 |
