| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 2.136 | -1.233 | 0.000 | True |
| 2 | 0.000 | 2.467 | 0.000 | True |
| 3 | 0.000 | 0.000 | 6.476 | True |
| Lengths: | 2.467 | 2.467 | 6.476 |
| Angles: | 90.000 | 90.000 | 120.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.338 |
| space_group_number | space_group_number | 194 |
| volume | Volume of unit cell | 34.122 ų |
| mace_energy | mace_energy | -9.356 |
| mass | Sum of atomic masses in unit cell | 48.044 au |
| pearson_symbol | pearson_symbol | hP4 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 4 |
| topology | topology | hcb-hcb |
| wps | wps | ['2d', '2b'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C4 |