On the materialsproject website I can search with “has properties->”,
the “Elec. structure”, or “Vibrational” boxes checked.
How can I do this via pymatgen.ext.matproj?
So without has_bandstructure or has_phonons
the following works
a=MPRester("***")
print(a.query({“reduced_cell_formula”:“NiO”,“has_bandstructure”:“true”},[“material_id”,“pretty_formula”]))
But with has_bandstructure or has_phonons it does not
a=MPRester("***")
print(a.query({“reduced_cell_formula”:“NiO”,“has_bandstructure”:“true”},[“material_id”,“pretty_formula”]))
What’s the proper way to query via pymatgen.ext.matproj with the “has electronic structure” or “vibrational” criteria?
Thanks,
Fei