| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 23.067 | 0.000 | 0.000 | True |
| 2 | 0.000 | 23.067 | 0.000 | True |
| 3 | 0.000 | 0.000 | 23.067 | True |
| Lengths: | 23.067 | 23.067 | 23.067 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.092 |
| space_group_number | space_group_number | 227 |
| volume | Volume of unit cell | 12273.369 ų |
| mace_energy | mace_energy | -8.974 |
| mass | Sum of atomic masses in unit cell | 8071.392 au |
| pearson_symbol | pearson_symbol | cF672 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 672 |
| topology | topology | aaa |
| wps | wps | ['96g', '192i', '192i', '192i'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C672 |