| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 4.591 | 0.000 | 0.000 | True |
| 2 | 0.000 | 4.591 | 0.000 | True |
| 3 | 0.000 | 0.000 | 5.976 | True |
| Lengths: | 4.591 | 4.591 | 5.976 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.534 |
| space_group_number | space_group_number | 131 |
| volume | Volume of unit cell | 125.954 ų |
| mace_energy | mace_energy | -9.112 |
| mass | Sum of atomic masses in unit cell | 192.176 au |
| pearson_symbol | pearson_symbol | tP16 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 16 |
| topology | topology | hcb-hcb |
| wps | wps | ['4m', '8q', '4j'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C16 |