Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-5405 | NaCa2NF2 | P-3m1 | -3m | 23.1429 | Ti3PO2 | 1.46 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
3.51 | 3.51 | 8.45 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-556 | 2di-520 |