| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 2.460 | 0.000 | -0.157 | True |
| 2 | 0.000 | 4.270 | 0.000 | True |
| 3 | 0.000 | 0.000 | 3.517 | True |
| Lengths: | 2.465 | 4.270 | 3.517 |
| Angles: | 90.000 | 93.656 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.159 |
| space_group_number | space_group_number | 12 |
| volume | Volume of unit cell | 36.946 ų |
| mace_energy | mace_energy | -9.355 |
| mass | Sum of atomic masses in unit cell | 48.044 au |
| pearson_symbol | pearson_symbol | mS4 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 4 |
| topology | topology | hcb(2) |
| wps | wps | ['4g'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C4 |