| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 14.504 | 0.000 | -8.191 | True |
| 2 | 0.000 | 6.127 | 0.000 | True |
| 3 | 0.000 | 0.000 | 10.076 | True |
| Lengths: | 16.657 | 6.127 | 10.076 |
| Angles: | 90.000 | 119.456 | 90.000 |
Automatically generated for Al-P-Rb using the curated electride and Materials Project reference phases.
| Key | Description | Value |
|---|---|---|
| N_excess | N_excess | 1.000 |
| band0 | band0 | 50.032 |
| full_dft_e_hull | full_dft_e_hull | 0.042 |
| composition | composition | Rb7Al1P3 |
| e10 | e10 | 34.040 |
| space_group_number | space_group_number | 8 |
| chemsys | chemsys | Al-P-Rb |
| electride | electride | True |
| volume | Volume of unit cell | 895.442 ų |
| e0025 | e0025 | 50.277 |
| mattersim_e_hull | mattersim_e_hull | -0.027 |
| band1 | band1 | 0.000 |
| pearson_symbol | pearson_symbol | mS22 |
| e05 | e05 | 50.776 |
| natoms | Number of atoms | 22 |
| band_gap | band_gap | 0.000 |
| dft_e_hull | dft_e_hull | 0.021 |
| formula | Chemical formula | Al2Rb14P6 |