Ca2Sn2
MatHub2d-1299-Ca2Sn2
| Property |
Value |
| Space group |
(51, 'Pmma') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.01 |
| Free energy (eV) |
-12.997 |
| Free energy / atom (eV) |
-3.249 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.321 | 4.683 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.361 | 4.686 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-0.803 eV |
| Vacuum level |
1.524 eV |
| VBM |
-0.804 eV |
| CBM |
-0.798 eV |
| Work function |
2.327 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-0.803 eV |
| Vacuum level |
1.524 eV |
| VBM |
-0.804 eV |
| CBM |
-0.798 eV |
| Work function |
2.327 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
44.315 |
13.496 |
0.000 |
| yy |
13.496 |
42.750 |
0.000 |
| xy |
0.000 |
0.000 |
24.064 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
JVASP-6073 |
