| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 8.122 | 0.000 | -1.791 | True |
| 2 | 0.000 | 8.186 | 0.000 | True |
| 3 | 0.000 | 0.000 | 3.646 | True |
| Lengths: | 8.317 | 8.186 | 3.646 |
| Angles: | 90.000 | 102.433 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.304 |
| space_group_number | space_group_number | 12 |
| volume | Volume of unit cell | 242.402 ų |
| mace_energy | mace_energy | -8.916 |
| mass | Sum of atomic masses in unit cell | 336.308 au |
| pearson_symbol | pearson_symbol | mS28 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 28 |
| topology | topology | aaa |
| wps | wps | ['8j', '8j', '8j', '4h'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C28 |