| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 19.041 | -10.994 | 0.000 | True |
| 2 | 0.000 | 21.987 | 0.000 | True |
| 3 | 0.000 | 0.000 | 5.032 | True |
| Lengths: | 21.987 | 21.987 | 5.032 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.022 |
| space_group_number | space_group_number | 167 |
| volume | Volume of unit cell | 2106.774 ų |
| mace_energy | mace_energy | -8.919 |
| 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 | ['36f', '18e', '36f', '18e'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C108 |