| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 4.729 | 0.000 | 0.000 | True |
| 2 | 0.000 | 9.147 | 0.000 | True |
| 3 | 0.000 | 0.000 | 7.616 | True |
| Lengths: | 4.729 | 9.147 | 7.616 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.938 |
| space_group_number | space_group_number | 72 |
| volume | Volume of unit cell | 329.400 ų |
| mace_energy | mace_energy | -9.079 |
| mass | Sum of atomic masses in unit cell | 384.352 au |
| pearson_symbol | pearson_symbol | oI32 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 32 |
| topology | topology | hnc-hnc |
| wps | wps | ['8j', '8j', '8j', '8j'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C32 |