| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 6.633 | 0.000 | -0.273 | True |
| 2 | 0.000 | 2.474 | 0.000 | True |
| 3 | 0.000 | 0.000 | 10.937 | True |
| Lengths: | 6.638 | 2.474 | 10.937 |
| Angles: | 90.000 | 92.354 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.556 |
| space_group_number | space_group_number | 10 |
| volume | Volume of unit cell | 179.499 ų |
| mace_energy | mace_energy | -9.058 |
| mass | Sum of atomic masses in unit cell | 168.154 au |
| pearson_symbol | pearson_symbol | mP14 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 14 |
| topology | topology | aaa |
| wps | wps | ['2m', '2m', '2m', '2m', '2n', '2n', '2n'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C14 |