| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 10.575 | 0.000 | 0.000 | True |
| 2 | 0.000 | 10.575 | 0.000 | True |
| 3 | 0.000 | 0.000 | 4.403 | True |
| Lengths: | 10.575 | 10.575 | 4.403 |
| Angles: | 90.000 | 90.000 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 1.620 |
| space_group_number | space_group_number | 119 |
| volume | Volume of unit cell | 492.345 ų |
| mace_energy | mace_energy | -8.860 |
| mass | Sum of atomic masses in unit cell | 480.440 au |
| pearson_symbol | pearson_symbol | tI40 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 40 |
| topology | topology | aaa |
| wps | wps | ['8i', '16j', '16j'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C40 |