| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 7.701 | -4.446 | 0.000 | True |
| 2 | 0.000 | 8.892 | 0.000 | True |
| 3 | 0.000 | 0.000 | 24.596 | True |
| Lengths: | 8.892 | 8.892 | 24.596 |
| Angles: | 90.000 | 90.000 | 120.000 |
Automatically generated for Cs-O using the curated electride and Materials Project reference phases.
| Key | Description | Value |
|---|---|---|
| N_excess | N_excess | 4.000 |
| band0 | band0 | 87.306 |
| full_dft_e_hull | full_dft_e_hull | 0.042 |
| composition | composition | Cs6O1 |
| e10 | e10 | 45.417 |
| space_group_number | space_group_number | 148 |
| chemsys | chemsys | Cs-O |
| electride | electride | True |
| volume | Volume of unit cell | 1684.135 ų |
| e0025 | e0025 | 86.992 |
| mattersim_e_hull | mattersim_e_hull | 0.037 |
| band1 | band1 | 54.100 |
| pearson_symbol | pearson_symbol | hR21 |
| e05 | e05 | 45.011 |
| natoms | Number of atoms | 21 |
| band_gap | band_gap | 0.000 |
| dft_e_hull | dft_e_hull | 0.042 |
| formula | Chemical formula | Cs18O3 |