| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 4.516 | 0.000 | -1.859 | True |
| 2 | 0.000 | 8.005 | 0.000 | True |
| 3 | 0.000 | 0.000 | 3.720 | True |
| Lengths: | 4.884 | 8.005 | 3.720 |
| Angles: | 90.000 | 112.377 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.780 |
| space_group_number | space_group_number | 12 |
| volume | Volume of unit cell | 134.479 ų |
| mace_energy | mace_energy | -8.934 |
| mass | Sum of atomic masses in unit cell | 144.132 au |
| pearson_symbol | pearson_symbol | mS12 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 12 |
| topology | topology | car-car |
| wps | wps | ['4i', '4i', '4i'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C12 |