| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 4.946 | 0.000 | 0.000 | True |
| 2 | 0.000 | 5.507 | 0.000 | True |
| 3 | 0.000 | 0.000 | 8.518 | True |
| Lengths: | 4.946 | 5.507 | 8.518 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.891 |
| space_group_number | space_group_number | 47 |
| volume | Volume of unit cell | 231.981 ų |
| mace_energy | mace_energy | -8.925 |
| mass | Sum of atomic masses in unit cell | 264.242 au |
| pearson_symbol | pearson_symbol | oP22 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 22 |
| topology | topology | unstable |
| wps | wps | ['2q', '8A', '4u', '4v', '4w'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C22 |