| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 3.182 | 0.000 | -1.332 | True |
| 2 | 0.000 | 11.001 | 0.000 | True |
| 3 | 0.000 | 0.000 | 4.313 | True |
| Lengths: | 3.449 | 11.001 | 4.313 |
| Angles: | 90.000 | 112.712 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.378 |
| space_group_number | space_group_number | 10 |
| volume | Volume of unit cell | 150.949 ų |
| mace_energy | mace_energy | -8.942 |
| mass | Sum of atomic masses in unit cell | 216.198 au |
| pearson_symbol | pearson_symbol | mP18 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 18 |
| topology | topology | aaa |
| wps | wps | ['4o', '4o', '4o', '4o', '2m'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C18 |