| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 3.878 | 0.000 | 0.000 | True |
| 2 | 0.000 | 4.785 | 0.000 | True |
| 3 | 0.000 | 0.000 | 9.215 | True |
| Lengths: | 3.878 | 4.785 | 9.215 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.866 |
| space_group_number | space_group_number | 47 |
| volume | Volume of unit cell | 170.989 ų |
| mace_energy | mace_energy | -9.004 |
| mass | Sum of atomic masses in unit cell | 192.176 au |
| pearson_symbol | pearson_symbol | oP16 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 16 |
| topology | topology | aaa |
| wps | wps | ['4u', '4u', '4u', '2q', '2r'] |
| dimension | dimension | 2 |
| formula | Chemical formula | C16 |