K2Mn2P2
MatHub2d-1806-K2Mn2P2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-23.636 |
| Free energy / atom (eV) |
-3.939 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.770 | 3.770 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.349 | 4.349 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.126 eV |
| Vacuum level |
1.056 eV |
| VBM |
-0.127 eV |
| CBM |
-0.125 eV |
| Work function |
1.182 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.126 eV |
| Vacuum level |
1.056 eV |
| VBM |
-0.127 eV |
| CBM |
-0.125 eV |
| Work function |
1.182 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
22.616 |
5.914 |
-0.000 |
| yy |
5.914 |
22.616 |
0.000 |
| xy |
-0.000 |
0.000 |
15.917 |
| Phonon mode at Γ point (THz) |
| -2.133 |
| -2.133 |
| -0.077 |
| -0.015 |
| -0.015 |
| 2.584 |
| 2.584 |
| 2.701 |
| 2.701 |
| 2.752 |
| 3.332 |
| 4.470 |
| 4.470 |
| 4.628 |
| 4.628 |
| 4.669 |
| 4.817 |
| 5.876 |
| Property |
Value |
| from where |
JVASP-6241 |
