| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 2.986 | 0.000 | -0.763 | True |
| 2 | 0.000 | 9.479 | 0.000 | True |
| 3 | 0.000 | 0.000 | 4.252 | True |
| Lengths: | 3.082 | 9.479 | 4.252 |
| Angles: | 90.000 | 104.328 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.652 |
| space_group_number | space_group_number | 10 |
| volume | Volume of unit cell | 120.338 ų |
| mace_energy | mace_energy | -8.961 |
| mass | Sum of atomic masses in unit cell | 192.176 au |
| pearson_symbol | pearson_symbol | mP16 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 16 |
| topology | topology | aaa |
| wps | wps | ['4o', '4o', '4o', '2m', '2n'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C16 |