| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 10.175 | 0.000 | -0.968 | True |
| 2 | 0.000 | 2.924 | 0.000 | True |
| 3 | 0.000 | 0.000 | 4.899 | True |
| Lengths: | 10.221 | 2.924 | 4.899 |
| Angles: | 90.000 | 95.435 | 90.000 |
| Key | Description | Value |
|---|---|---|
| density | density | 2.737 |
| space_group_number | space_group_number | 13 |
| volume | Volume of unit cell | 145.735 ų |
| mace_energy | mace_energy | -9.035 |
| mass | Sum of atomic masses in unit cell | 240.220 au |
| pearson_symbol | pearson_symbol | mP20 |
| pbc | Periodic boundary conditions | [ True True True] |
| natoms | Number of atoms | 20 |
| topology | topology | aaa |
| wps | wps | ['4g', '4g', '4g', '4g', '4g'] |
| dimension | dimension | 3 |
| formula | Chemical formula | C20 |