| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 4.589 | 0.000 | 0.000 | True |
| 2 | 0.000 | 4.589 | 0.000 | True |
| 3 | 0.000 | 0.000 | 14.240 | True |
| Lengths: | 4.589 | 4.589 | 14.240 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.128 |
| space_group_number | space_group_number | 96 |
| volume | Volume of unit cell | 299.912 ų |
| mace_energy | mace_energy | -9.154 |
| mass | Sum of atomic masses in unit cell | 384.352 au |
| pearson_symbol | pearson_symbol | tP32 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 32 |
| topology | topology | hcb-hcb-hcb-hcb |
| wps | wps | ['8b', '8b', '8b', '8b'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C32 |