| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 3.418 | 0.000 | -1.363 | True |
| 2 | 0.000 | 8.421 | 0.000 | True |
| 3 | 0.000 | 0.000 | 4.295 | True |
| Lengths: | 3.680 | 8.421 | 4.295 |
| Angles: | 90.000 | 111.743 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.258 |
| space_group_number | space_group_number | 10 |
| volume | Volume of unit cell | 123.632 ų |
| mace_energy | mace_energy | -8.884 |
| 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 | ['4o', '4o', '2m', '4o'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C14 |