| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 9.194 | 0.000 | -3.475 | True |
| 2 | 0.000 | 5.648 | 0.000 | True |
| 3 | 0.000 | 0.000 | 13.033 | True |
| Lengths: | 9.828 | 5.648 | 13.033 |
| Angles: | 90.000 | 110.706 | 90.000 |
Automatically generated for Cs-P-Si using the curated electride and Materials Project reference phases.
| Key | Description | Value |
|---|---|---|
| N_excess | N_excess | 1.000 |
| band0 | band0 | 32.184 |
| full_dft_e_hull | full_dft_e_hull | 0.029 |
| composition | composition | Cs9Si1P4 |
| e10 | e10 | 19.442 |
| space_group_number | space_group_number | 6 |
| chemsys | chemsys | Cs-P-Si |
| electride | electride | True |
| volume | Volume of unit cell | 676.757 ų |
| e0025 | e0025 | 0.000 |
| mattersim_e_hull | mattersim_e_hull | 0.014 |
| band1 | band1 | 23.145 |
| pearson_symbol | pearson_symbol | mP14 |
| e05 | e05 | 22.737 |
| natoms | Number of atoms | 14 |
| band_gap | band_gap | 0.000 |
| dft_e_hull | dft_e_hull | 0.029 |
| formula | Chemical formula | Cs9P4Si |