Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-4821 | Ba2MnTe2F2 | P3m1 | 3m | 56.7332 | p52 | 1.44 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.46 | 4.46 | 11.60 | 90.00 | 90.00 | 120.00 |
building block id 1 | building block id 2 |
---|---|
2di-790 | 2di-446 |