| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 8.622 | -4.978 | 0.000 | True |
| 2 | 0.000 | 9.956 | 0.000 | True |
| 3 | 0.000 | 0.000 | 2.486 | True |
| Lengths: | 9.956 | 9.956 | 2.486 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.309 |
| space_group_number | space_group_number | 191 |
| volume | Volume of unit cell | 213.359 ų |
| mace_energy | mace_energy | -8.973 |
| mass | Sum of atomic masses in unit cell | 168.154 au |
| pearson_symbol | pearson_symbol | hP14 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 14 |
| topology | topology | tpy |
| wps | wps | ['6l', '2c', '6m'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C14 |