Dear forum, please is there a way I can extract only solids and not molecules from the Materials Project using the MPRester? I will appreciate your help please. 1 post - 1 participant Read full topic

When I delete the surface atom of the 2D material to search for the vacancy energy, the atom will be lost. and my code are as follows: units metal dimension 3 boundary p p p atom_style atomic read_data data.origin change_box all boundary p p f remap units box pair_style sw pair_coeff * * wse2.sw W Se #计算势能 compute eng all pe/atom compute eatoms all…