| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 12.258 | 0.000 | -2.165 | True |
| 2 | 0.000 | 3.032 | 0.000 | True |
| 3 | 0.000 | 0.000 | 4.899 | True |
| Lengths: | 12.447 | 3.032 | 4.899 |
| Angles: | 90.000 | 100.019 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.629 |
| space_group_number | space_group_number | 13 |
| volume | Volume of unit cell | 182.087 ų |
| mace_energy | mace_energy | -9.084 |
| mass | Sum of atomic masses in unit cell | 288.264 au |
| pearson_symbol | pearson_symbol | mP24 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 24 |
| topology | topology | aaa |
| wps | wps | ['4g', '4g', '4g', '4g', '4g', '4g'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C24 |