| Property | Value |
|---|---|
| Space group | (187, "'P-6m2'") |
| Magnetic | False |
| Band gap (PBE) (eV) | 0 |
| Total energy (eV) | -5.043 |
| Total energy / atom (eV) | -2.521 |
| a, b, c (Å): | 3.880 | 3.880 | 6.520 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| a, b, c (Å): | 3.850 | 3.850 | 6.560 |
| α, β, γ(°): | 90.0 | 90.0 | 120.0 |
| Property | Value |
|---|---|
| Source | mp-976031-Ac1Na1 |