| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 4.834 | 0.000 | -1.500 | True |
| 2 | 0.000 | 8.269 | 0.000 | True |
| 3 | 0.000 | 0.000 | 6.896 | True |
| Lengths: | 5.061 | 8.269 | 6.896 |
| Angles: | 90.000 | 107.245 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.026 |
| space_group_number | space_group_number | 12 |
| volume | Volume of unit cell | 275.623 ų |
| mace_energy | mace_energy | -8.935 |
| mass | Sum of atomic masses in unit cell | 336.308 au |
| pearson_symbol | pearson_symbol | mS28 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 28 |
| topology | topology | aaa |
| wps | wps | ['8j', '8j', '8j', '4g'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C28 |