Table 1 Lattice parameters and calculated formation energy of the SnxPy monolayers
SnxPy monolayers | Lattice parameters | Space group | Formation energy (eV/atom) | |||||
---|---|---|---|---|---|---|---|---|
a | b | c | Alpha | Beta | Gamma | |||
P\( \overline{6} \)m2-SnP | 3.95 | 3.95 | 17.16 | 90 | 90 | 120 | P\( \overline{6} \)m2 | − 0.235 |
P\( \overline{3} \)m1-SnP | 3.96 | 3.96 | 17.11 | 90 | 90 | 120 | P\( \overline{3} \)m1 | − 0.223 |
Pmc21-SnP2 | 3.71 | 10.78 | 15.83 | 90 | 90 | 90 | Pmc21 | − 0.159 |
P\( \overline{4}{2}_1 \)m-SnP2 | 7.59 | 7.59 | 14.66 | 90 | 90 | 126.69 | P\( \overline{4}{2}_1 \)m | − 0.016 |