| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 2.626 | 0.000 | -0.229 | True |
| 2 | 0.000 | 2.492 | 0.000 | True |
| 3 | 0.000 | 0.000 | 12.843 | True |
| Lengths: | 2.636 | 2.492 | 12.843 |
| Angles: | 90.000 | 94.984 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.848 |
| space_group_number | space_group_number | 10 |
| volume | Volume of unit cell | 84.044 ų |
| mace_energy | mace_energy | -8.911 |
| mass | Sum of atomic masses in unit cell | 144.132 au |
| pearson_symbol | pearson_symbol | mP12 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 12 |
| topology | topology | aaa |
| wps | wps | ['2n', '2m', '2m', '2n', '2n', '2n'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C12 |