| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 6.932 | -4.002 | 0.000 | True |
| 2 | 0.000 | 8.005 | 0.000 | True |
| 3 | 0.000 | 0.000 | 2.466 | True |
| Lengths: | 8.005 | 8.005 | 2.466 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.332 |
| space_group_number | space_group_number | 143 |
| volume | Volume of unit cell | 136.859 ų |
| mace_energy | mace_energy | -8.855 |
| mass | Sum of atomic masses in unit cell | 192.176 au |
| pearson_symbol | pearson_symbol | hP16 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 16 |
| topology | topology | aaa |
| wps | wps | ['3d', '3d', '3d', '1b', '3d', '3d'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C16 |