Hello,
Is there a way to download all POSCARs from the MP for the most stable phase? and save each POSCAR in a directory by their name.
Regards,
Asif
Hello,
Is there a way to download all POSCARs from the MP for the most stable phase? and save each POSCAR in a directory by their name.
Regards,
Asif
With the new API, you can download every structure by asking for every single “summary” document:
import MPRester from mp_api
with MPRester("your_api_key_here") as mpr:
docs = mpr.summary.search(fields=["structure", "material_id"])
From here, you can access the structures as attributes and save them as POSCAR files:
for doc in docs:
structure = doc.structure
material_id = doc.material_id
structure.to("POSCAR", "your_file_name_here")
– Jason