| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 4.772 | 0.000 | 0.000 | True |
| 2 | 0.000 | 13.466 | 0.000 | True |
| 3 | 0.000 | 0.000 | 13.588 | True |
| Lengths: | 4.772 | 13.466 | 13.588 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.193 |
| space_group_number | space_group_number | 70 |
| volume | Volume of unit cell | 873.114 ų |
| mace_energy | mace_energy | -9.127 |
| mass | Sum of atomic masses in unit cell | 1153.056 au |
| pearson_symbol | pearson_symbol | oF96 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 96 |
| topology | topology | aaa-aaa-aaa-aaa |
| wps | wps | ['32h', '16f', '32h', '16f'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C96 |