Dear all,
I am following https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.8b03343 for my further research.
So I tried so many times about mentioned structures like MAPbI3 (Pm-3m), FAPbI3 (Imm2), FAPbBr3 (Imm2), and MASnI3 (P4mm) but not able to make.
So if you any one have above mentioned structure please let me know
Thank you
Using the LAMMPS lattice command, you can build all 230 3d space groups, which covers all possible crystal structures. All you need to know are the 3 Bravais lattice vectors and the positions of the basis atoms in the unit cell.
Actually I don;t have any information regarding system so I tried to find those system in material project. But I didn’t get
Try starting from this: Materials Platform for Data Science and then input particular chemical elements of your interest. Then you can download the required POSCARs (select an entry and see the left box).