| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 3.025 | 0.000 | -1.238 | True |
| 2 | 0.000 | 9.746 | 0.000 | True |
| 3 | 0.000 | 0.000 | 4.278 | True |
| Lengths: | 3.268 | 9.746 | 4.278 |
| Angles: | 90.000 | 112.259 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.530 |
| space_group_number | space_group_number | 10 |
| volume | Volume of unit cell | 126.116 ų |
| mace_energy | mace_energy | -9.153 |
| mass | Sum of atomic masses in unit cell | 192.176 au |
| pearson_symbol | pearson_symbol | mP16 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 16 |
| topology | topology | aaa |
| wps | wps | ['4o', '4o', '4o', '2m', '2n'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C16 |