| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 5.657 | 0.000 | -2.139 | True |
| 2 | 0.000 | 7.948 | 0.000 | True |
| 3 | 0.000 | 0.000 | 5.751 | True |
| Lengths: | 6.048 | 7.948 | 5.751 |
| Angles: | 90.000 | 110.714 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.851 |
| space_group_number | space_group_number | 12 |
| volume | Volume of unit cell | 258.610 ų |
| mace_energy | mace_energy | -8.959 |
| 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-aaa |
| wps | wps | ['4i', '4i', '4i', '4i', '4i', '4i'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C24 |