| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 14.561 | 0.000 | 0.000 | True |
| 2 | 0.000 | 14.561 | 0.000 | True |
| 3 | 0.000 | 0.000 | 14.561 | True |
| Lengths: | 14.561 | 14.561 | 14.561 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.137 |
| space_group_number | space_group_number | 221 |
| volume | Volume of unit cell | 3086.985 ų |
| mace_energy | mace_energy | -9.142 |
| mass | Sum of atomic masses in unit cell | 2113.936 au |
| pearson_symbol | pearson_symbol | cP176 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 176 |
| topology | topology | aaa |
| wps | wps | ['48n', '48n', '24m', '24l', '8g', '24m'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C176 |