Hello
I have some difficulties to use the new API, in particular to find the information to do one task or another.
For instance, i want to export cif files once I found them.
I use this:
entries = mpr.materials.summary.search(
formula=phase,
fields=["material_id", "formula_pretty", "structure", "spacegroup_number"]
)
print(f"Found {len(entries)} entries for phase: {phase}")
for entry in entries:
material_id = entry.material_id
structure = mpr.get_structure_by_material_id(material_id)
formula = entry.formula_pretty
filename = formula+material_id+".cif"
structure.to(filename)
print(f"Saved CIF for {formula} ({material_id}) as {filename}")
I indeed obtain cif files but they contain P1 information for space group, which then does not corrrspond to what expected.
I would be happy to have a bit of help.
Many thanks in advance
Warm regards from Paris.
Guilhem