| Axis | x | y | z | Periodic |
|---|---|---|---|---|
| 1 | 3.110 | -1.795 | 0.000 | True |
| 2 | 0.000 | 3.591 | 0.000 | True |
| 3 | 0.000 | 0.000 | 19.136 | True |
| Lengths: | 3.591 | 3.591 | 19.136 |
| Angles: | 90.000 | 90.000 | 120.000 |
Automatically generated for Li-N using the curated electride and Materials Project reference phases.
| Key | Description | Value |
|---|---|---|
| N_excess | N_excess | 1.000 |
| band0 | band0 | 10.367 |
| full_dft_e_hull | full_dft_e_hull | 0.013 |
| composition | composition | Li4N1 |
| e10 | e10 | 33.489 |
| space_group_number | space_group_number | 156 |
| chemsys | chemsys | Li-N |
| electride | electride | True |
| volume | Volume of unit cell | 213.699 ų |
| e0025 | e0025 | 0.000 |
| mattersim_e_hull | mattersim_e_hull | 0.030 |
| band1 | band1 | 26.423 |
| pearson_symbol | pearson_symbol | hP15 |
| e05 | e05 | 7.199 |
| natoms | Number of atoms | 15 |
| band_gap | band_gap | 0.000 |
| dft_e_hull | dft_e_hull | 0.008 |
| formula | Chemical formula | Li12N3 |