Hello Material Project community, I do have a question on the crystal symmetries of the intercalation battery materials. I assumed that the symmetries/space group specified in the data is for both charged and discharged electrodes. However, when I checked the individual structures, it’s observed that most of the pairs have different symmetries. Can you please help me understand if I’m getting something wrong. I shall appreciate your comment.
Hi @Isaiah_Moses, The symmetry only refers to the empty host lattice not the symmetry of the intercalated structure within each step.
Thanks a lot @jshen for the information. Out of the about 4400 battery_ids, only about 1700 pairs of corresponding (id_discharge, id_charge) returned space group information. Is there a way I can query (using MPRester) the space groups for the complete intercalation electrodes please? Your help would be highly appreciated.
Hi @Isaiah_Moses that is not possible at the moment but we are working on a major update for this and will keep that feature in mind going forward.
Thanks for your response @jshen. I am grateful.