C4Fe1H8N6S4
MatHub3d-20196-C4Fe1H8N6S4
| Property | Value |
|---|---|
| Space group | (2, "'P-1'") |
| Magnetic | True |
| Magnetic moment (μB) | 4.02 |
| Band gap (PBE) (eV) | 2.81 |
| Total energy (eV) | -139.773 |
| Total energy / atom (eV) | -6.077 |
| a, b, c (Å): | 3.900 | 7.640 | 10.110 |
| α, β, γ(°): | 92.0 | 98.0 | 104.0 |
| a, b, c (Å): | 4.040 | 7.810 | 10.290 |
| α, β, γ(°): | 93.0 | 99.0 | 101.0 |
| n_type (eV): | -9.075 |
| p_type (eV): | -7.348 |
C4Fe1H8N6S4
| Property | Value |
|---|---|
| Bulk-modulus | 95.222 GPa |
C4Fe1H8N6S4
| Property | Value |
|---|---|
| Band gap | 2.81 eV |
| Band degeneracy(CBM) | 0.00 |
| Band degeneracy(VBM) | 0.00 |
| Property | Value |
|---|---|
| Source | icsd-10452-C4Fe1H8N6S4 |