| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 7.760 | -4.480 | 0.000 | True |
| 2 | 0.000 | 8.961 | 0.000 | True |
| 3 | 0.000 | 0.000 | 12.590 | True |
| Lengths: | 8.961 | 8.961 | 12.590 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.914 |
| space_group_number | space_group_number | 192 |
| volume | Volume of unit cell | 875.462 ų |
| mace_energy | mace_energy | -8.855 |
| mass | Sum of atomic masses in unit cell | 1008.924 au |
| pearson_symbol | pearson_symbol | hP84 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 84 |
| topology | topology | aaa |
| wps | wps | ['12j', '24m', '24m', '24m'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C84 |