| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 7.177 | 0.000 | 0.000 | True |
| 2 | 0.000 | 8.966 | 0.000 | True |
| 3 | 0.000 | 0.000 | 12.371 | True |
| Lengths: | 7.177 | 8.966 | 12.371 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.405 |
| space_group_number | space_group_number | 73 |
| volume | Volume of unit cell | 796.013 ų |
| mace_energy | mace_energy | -9.144 |
| mass | Sum of atomic masses in unit cell | 1153.056 au |
| pearson_symbol | pearson_symbol | oI96 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 96 |
| topology | topology | hnd-hnd-hnd-hnd |
| wps | wps | ['16f', '16f', '16f', '16f', '16f', '16f'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C96 |