| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 8.391 | -4.845 | 0.000 | True |
| 2 | 0.000 | 9.689 | 0.000 | True |
| 3 | 0.000 | 0.000 | 15.801 | True |
| Lengths: | 9.689 | 9.689 | 15.801 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.677 |
| space_group_number | space_group_number | 166 |
| volume | Volume of unit cell | 1284.642 ų |
| mace_energy | mace_energy | -8.914 |
| mass | Sum of atomic masses in unit cell | 1297.188 au |
| pearson_symbol | pearson_symbol | hR108 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 108 |
| topology | topology | aaa |
| wps | wps | ['36i', '18f', '18f', '18h', '18h'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C108 |