| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 7.464 | 0.000 | -0.592 | True |
| 2 | 0.000 | 5.813 | 0.000 | True |
| 3 | 0.000 | 0.000 | 8.681 | True |
| Lengths: | 7.488 | 5.813 | 8.681 |
| Angles: | 90.000 | 94.537 | 90.000 |
Automatically generated for Al-P-Rb using the curated electride and Materials Project reference phases.
| Key | Description | Value |
|---|---|---|
| N_excess | N_excess | 2.000 |
| band0 | band0 | 34.095 |
| full_dft_e_hull | full_dft_e_hull | 0.063 |
| composition | composition | Rb5Al2P3 |
| e10 | e10 | 33.342 |
| space_group_number | space_group_number | 6 |
| chemsys | chemsys | Al-P-Rb |
| electride | electride | True |
| volume | Volume of unit cell | 376.671 ų |
| e0025 | e0025 | 0.000 |
| mattersim_e_hull | mattersim_e_hull | -0.046 |
| band1 | band1 | 0.000 |
| pearson_symbol | pearson_symbol | mP10 |
| e05 | e05 | 37.369 |
| natoms | Number of atoms | 10 |
| band_gap | band_gap | 0.000 |
| dft_e_hull | dft_e_hull | 0.016 |
| formula | Chemical formula | Al2Rb5P3 |