| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 4.188 | -2.418 | 0.000 | True |
| 2 | 0.000 | 4.836 | 0.000 | True |
| 3 | 0.000 | 0.000 | 16.514 | True |
| Lengths: | 4.836 | 4.836 | 16.514 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.789 |
| space_group_number | space_group_number | 152 |
| volume | Volume of unit cell | 334.415 ų |
| mace_energy | mace_energy | -8.858 |
| mass | Sum of atomic masses in unit cell | 360.330 au |
| pearson_symbol | pearson_symbol | hP30 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 30 |
| topology | topology | aaa |
| wps | wps | ['6c', '6c', '6c', '6c', '6c'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C30 |