| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 22.778 | -13.151 | 0.000 | True |
| 2 | 0.000 | 26.301 | 0.000 | True |
| 3 | 0.000 | 0.000 | 2.467 | True |
| Lengths: | 26.301 | 26.301 | 2.467 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.458 |
| space_group_number | space_group_number | 166 |
| volume | Volume of unit cell | 1477.706 ų |
| mace_energy | mace_energy | -9.296 |
| mass | Sum of atomic masses in unit cell | 1297.188 au |
| pearson_symbol | pearson_symbol | hR108 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 108 |
| topology | topology | unstable-unstable-unstable |
| wps | wps | ['36i', '36i', '36i'] |
| dimension | dimension | 1 |
| formula | Chemical formula | C108 |