I am trying to use the new API to extract information relating to the space groups. I was able to do this with the legacy API. Wondering if anyone can provide some info on this Help appreciated
Here’s an example:
from mp_api.client import MPRester
with MPRester() as mpr:
docs = mpr.summary.search(
fields=["material_id", "symmetry"], material_ids=["mp-1", "mp-1234"]
)
for doc in docs:
print(f"{doc.material_id}: {doc.symmetry}")
Prints:
mp-1234: crystal_system=<CrystalSystem.cubic: ‘Cubic’> symbol=‘Fd-3m’ number=227 point_group=‘m-3m’ symprec=0.1 version=‘1.16.2’
mp-1: crystal_system=<CrystalSystem.cubic: ‘Cubic’> symbol=‘Im-3m’ number=229 point_group=‘m-3m’ symprec=0.1 version=‘1.16.2’
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