| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 5.000 | 0.000 | -0.446 | True |
| 2 | 0.000 | 8.279 | 0.000 | True |
| 3 | 0.000 | 0.000 | 8.755 | True |
| Lengths: | 5.020 | 8.279 | 8.755 |
| Angles: | 90.000 | 95.101 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.981 |
| space_group_number | space_group_number | 12 |
| volume | Volume of unit cell | 362.427 ų |
| mace_energy | mace_energy | -9.024 |
| mass | Sum of atomic masses in unit cell | 432.396 au |
| pearson_symbol | pearson_symbol | mS36 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 36 |
| topology | topology | aaa |
| wps | wps | ['8j', '8j', '4g', '8j', '8j'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C36 |