| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 7.698 | -4.445 | 0.000 | True |
| 2 | 0.000 | 8.889 | 0.000 | True |
| 3 | 0.000 | 0.000 | 6.554 | True |
| Lengths: | 8.889 | 8.889 | 6.554 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.312 |
| space_group_number | space_group_number | 192 |
| volume | Volume of unit cell | 448.506 ų |
| mace_energy | mace_energy | -9.357 |
| mass | Sum of atomic masses in unit cell | 624.572 au |
| pearson_symbol | pearson_symbol | hP52 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 52 |
| topology | topology | hcb-hcb |
| wps | wps | ['12l', '12l', '4d', '12l', '12l'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C52 |