| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 8.291 | -4.787 | 0.000 | True |
| 2 | 0.000 | 9.574 | 0.000 | True |
| 3 | 0.000 | 0.000 | 7.096 | True |
| Lengths: | 9.574 | 9.574 | 7.096 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.124 |
| space_group_number | space_group_number | 194 |
| volume | Volume of unit cell | 563.283 ų |
| mace_energy | mace_energy | -8.971 |
| mass | Sum of atomic masses in unit cell | 720.660 au |
| pearson_symbol | pearson_symbol | hP60 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 60 |
| topology | topology | aaa |
| wps | wps | ['24l', '12i', '12i', '12k'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C60 |