| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 6.897 | 0.000 | -1.370 | True |
| 2 | 0.000 | 4.366 | 0.000 | True |
| 3 | 0.000 | 0.000 | 11.135 | True |
| Lengths: | 7.032 | 4.366 | 11.135 |
| Angles: | 90.000 | 101.235 | 90.000 |
Automatically generated for Al-Ca-P using the curated electride and Materials Project reference phases.
| Key | Description | Value |
|---|---|---|
| N_excess | N_excess | 2.000 |
| band0 | band0 | 25.209 |
| full_dft_e_hull | full_dft_e_hull | 0.000 |
| composition | composition | Ca7Al1P5 |
| e10 | e10 | 23.880 |
| space_group_number | space_group_number | 6 |
| chemsys | chemsys | Al-Ca-P |
| electride | electride | True |
| volume | Volume of unit cell | 335.310 ų |
| e0025 | e0025 | 16.628 |
| mattersim_e_hull | mattersim_e_hull | -0.065 |
| band1 | band1 | 0.000 |
| pearson_symbol | pearson_symbol | mP13 |
| e05 | e05 | 24.073 |
| natoms | Number of atoms | 13 |
| band_gap | band_gap | 0.000 |
| dft_e_hull | dft_e_hull | -0.010 |
| formula | Chemical formula | AlCa7P5 |