| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 7.966 | 0.000 | 0.000 | True |
| 2 | 0.000 | 7.966 | 0.000 | True |
| 3 | 0.000 | 0.000 | 13.207 | True |
| Lengths: | 7.966 | 7.966 | 13.207 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.284 |
| space_group_number | space_group_number | 142 |
| volume | Volume of unit cell | 838.123 ų |
| mace_energy | mace_energy | -9.147 |
| mass | Sum of atomic masses in unit cell | 1153.056 au |
| pearson_symbol | pearson_symbol | tI96 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 96 |
| topology | topology | hcb-hcb-hcb-hcb |
| wps | wps | ['16e', '32g', '16e', '32g'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C96 |