| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 16.780 | 0.000 | -1.485 | True |
| 2 | 0.000 | 3.341 | 0.000 | True |
| 3 | 0.000 | 0.000 | 5.584 | True |
| Lengths: | 16.845 | 3.341 | 5.584 |
| Angles: | 90.000 | 95.056 | 90.000 |
Automatically generated for B-Li-N using the curated electride and Materials Project reference phases.
| Key | Description | Value |
|---|---|---|
| N_excess | N_excess | 1.000 |
| band0 | band0 | 34.490 |
| full_dft_e_hull | full_dft_e_hull | 0.027 |
| composition | composition | Li10B1N4 |
| e10 | e10 | 29.682 |
| space_group_number | space_group_number | 12 |
| chemsys | chemsys | B-Li-N |
| electride | electride | True |
| volume | Volume of unit cell | 313.107 ų |
| e0025 | e0025 | 0.000 |
| mattersim_e_hull | mattersim_e_hull | 0.036 |
| band1 | band1 | 0.000 |
| pearson_symbol | pearson_symbol | mS30 |
| e05 | e05 | 30.748 |
| natoms | Number of atoms | 30 |
| band_gap | band_gap | 0.000 |
| dft_e_hull | dft_e_hull | 0.027 |
| formula | Chemical formula | Li20B2N8 |