| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 12.498 | 0.000 | -1.756 | True |
| 2 | 0.000 | 4.705 | 0.000 | True |
| 3 | 0.000 | 0.000 | 3.517 | True |
| Lengths: | 12.621 | 4.705 | 3.517 |
| Angles: | 90.000 | 97.999 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.315 |
| space_group_number | space_group_number | 12 |
| volume | Volume of unit cell | 206.809 ų |
| mace_energy | mace_energy | -8.917 |
| mass | Sum of atomic masses in unit cell | 288.264 au |
| pearson_symbol | pearson_symbol | mS24 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 24 |
| topology | topology | aaa |
| wps | wps | ['4i', '4i', '8j', '8j'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C24 |