| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 7.406 | 0.000 | 0.000 | True |
| 2 | 0.000 | 14.558 | 0.000 | True |
| 3 | 0.000 | 0.000 | 5.828 | True |
| Lengths: | 7.406 | 14.558 | 5.828 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.031 |
| space_group_number | space_group_number | 43 |
| volume | Volume of unit cell | 628.320 ų |
| mace_energy | mace_energy | -9.067 |
| mass | Sum of atomic masses in unit cell | 768.704 au |
| pearson_symbol | pearson_symbol | oF64 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 64 |
| topology | topology | hne-hne-hne-hne |
| wps | wps | ['16b', '16b', '8a', '16b', '8a'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C64 |