| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 3.823 | 0.000 | -0.574 | True |
| 2 | 0.000 | 4.729 | 0.000 | True |
| 3 | 0.000 | 0.000 | 9.146 | True |
| Lengths: | 3.866 | 4.729 | 9.146 |
| Angles: | 90.000 | 98.543 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.930 |
| space_group_number | space_group_number | 14 |
| volume | Volume of unit cell | 165.358 ų |
| mace_energy | mace_energy | -9.078 |
| 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 | hnc |
| wps | wps | ['4e', '4e', '4e', '4e'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C16 |