| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 7.082 | -4.089 | 0.000 | True |
| 2 | 0.000 | 8.178 | 0.000 | True |
| 3 | 0.000 | 0.000 | 7.967 | True |
| Lengths: | 8.178 | 8.178 | 7.967 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.075 |
| space_group_number | space_group_number | 176 |
| volume | Volume of unit cell | 461.407 ų |
| mace_energy | mace_energy | -8.881 |
| mass | Sum of atomic masses in unit cell | 576.528 au |
| pearson_symbol | pearson_symbol | hP48 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 48 |
| topology | topology | aaa |
| wps | wps | ['12i', '12i', '12i', '12i'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C48 |