material_id) database_IDs = mp_doc.database_IDs if database_IDs is not None: for icsd_id in database_IDs.get("icsd", []): if icsd_id not in icsd_to_mpid: icsd_to_mpid[icsd_id] = [] icsd_to_mpid[icsd_id].append(mpid) # 将字典转换为 DataFrame icsd_to_mpid_df = pd...
A search of all ICSD fields can be performed, which will return the resultant ICSD IDs, with their associated compositions search=client.search("Na") Once a search has been performed these can be passed tofetch_cifs()for bulk download. ...