| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 2.466 | 0.000 | 0.000 | True |
| 2 | 0.000 | 3.506 | 0.000 | True |
| 3 | 0.000 | 0.000 | 12.790 | True |
| Lengths: | 2.466 | 3.506 | 12.790 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.165 |
| space_group_number | space_group_number | 53 |
| volume | Volume of unit cell | 110.549 ų |
| mace_energy | mace_energy | -9.354 |
| mass | Sum of atomic masses in unit cell | 144.132 au |
| pearson_symbol | pearson_symbol | oP12 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 12 |
| topology | topology | hcb |
| wps | wps | ['4h', '4h', '4h'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C12 |