Crystal structure | Band structure | Phonon dispersion |
---|---|---|
Structure id | Formula | Space group | Point group | Ehull (meV/atom) | Prototype | Band gap (eV) | Is vdW? |
---|---|---|---|---|---|---|---|
s-1804 | Ca2Mn2As2F2 | P4/nmm | 4/mmm | 47.9789 | ZrCuSiAs | 0.00 | False |
a | b | c | α | β | γ |
---|---|---|---|---|---|
4.14 | 4.14 | 8.91 | 90.00 | 90.00 | 90.00 |
building block id 1 | building block id 2 |
---|---|
2di-219 | 2di-189 |