| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 3.820 | 0.000 | 0.000 | True |
| 2 | 0.000 | 3.990 | 0.000 | True |
| 3 | 0.000 | 0.000 | 5.751 | True |
| Lengths: | 3.820 | 3.990 | 5.751 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.820 |
| space_group_number | space_group_number | 47 |
| volume | Volume of unit cell | 87.660 ų |
| mace_energy | mace_energy | -8.915 |
| mass | Sum of atomic masses in unit cell | 96.088 au |
| pearson_symbol | pearson_symbol | oP8 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 8 |
| topology | topology | aaa-aaa |
| wps | wps | ['2l', '4x', '2r'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C8 |