--- title: "Fe22B6W magnetic moments 1" description: "Converged Mulliken magnetic moments as a magCIF (atomsite_moment) for visualization" url: "https://ouro.foundation/files/mmoderwell/fe22b6w-magnetic-moments-1" id: "b5399f38-2259-4726-a4b2-2b3e0c4649cc" type: "file" --- # Fe22B6W magnetic moments 1 File by @mmoderwell in #permanent-magnets (all) · .cif · 2.4 KB - Asset id: `b5399f38-2259-4726-a4b2-2b3e0c4649cc` - Page: https://ouro.foundation/files/mmoderwell/fe22b6w-magnetic-moments-1 Converged Mulliken magnetic moments as a magCIF (_atom_site_moment) for visualization ## Contents ```cif # generated using pymatgen data_Fe22B6W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50331653 _cell_length_b 7.50331653 _cell_length_c 7.50331653 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe22B6W _chemical_formula_sum 'Fe22 B6 W1' _cell_volume 298.70659086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_type_symbol _atom_type_oxidation_number Fe 0.0 B 0.0 W 0.0 loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe1 1 0.00036400 0.00036400 0.34171900 1.0 Fe Fe2 1 0.65755300 0.00036400 0.34171900 1.0 Fe Fe3 1 0.00036400 0.65755300 0.34171900 1.0 Fe Fe4 1 0.65755300 0.34171900 0.00036400 1.0 Fe Fe5 1 0.00036400 0.34171900 0.00036400 1.0 Fe Fe6 1 0.00036400 0.34171900 0.65755300 1.0 Fe Fe7 1 0.34171900 0.65755300 0.00036400 1.0 Fe Fe8 1 0.34171900 0.00036400 0.65755300 1.0 Fe Fe9 1 0.34171900 0.00036400 0.00036400 1.0 Fe Fe10 1 0.00036400 0.00036400 0.65755300 1.0 Fe Fe11 1 0.00036400 0.65755300 0.00036400 1.0 Fe Fe12 1 0.65755300 0.00036400 0.00036400 1.0 Fe Fe13 1 0.61965300 0.61965300 0.14104100 1.0 Fe Fe14 1 0.61965300 0.14104100 0.61965300 1.0 Fe Fe15 1 0.14104100 0.61965300 0.61965300 1.0 Fe Fe16 1 0.61965300 0.61965300 0.61965300 1.0 Fe Fe17 1 0.38315100 0.38315100 0.85054800 1.0 Fe Fe18 1 0.38315100 0.85054800 0.38315100 1.0 Fe Fe19 1 0.85054800 0.38315100 0.38315100 1.0 Fe Fe20 1 0.38315100 0.38315100 0.38315100 1.0 Fe Fe21 1 0.75000000 0.75000000 0.75000000 1.0 B B22 1 0.72419400 0.72419400 0.27580600 1.0 B B23 1 0.27580600 0.72419400 0.27580600 1.0 B B24 1 0.72419400 0.27580600 0.27580600 1.0 B B25 1 0.27580600 0.27580600 0.72419400 1.0 B B26 1 0.72419400 0.27580600 0.72419400 1.0 B B27 1 0.27580600 0.72419400 0.72419400 1.0 W W28 1 0.25000000 0.25000000 0.25000000 1.0 loop_ _atom_site_moment_label _atom_site_moment_crystalaxis_x _atom_site_moment_crystalaxis_y _atom_site_moment_crystalaxis_z ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/b0dc9ba5-3540-4cac-9066-089217a7935c.cif?v=1790283827853 - Over Ouro MCP: `download_asset(id="b5399f38-2259-4726-a4b2-2b3e0c4649cc")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="b5399f38-2259-4726-a4b2-2b3e0c4649cc")`, then pass it as `input_assets={"file": "b5399f38-2259-4726-a4b2-2b3e0c4649cc"}`. - From Python: `ouro.files.retrieve("b5399f38-2259-4726-a4b2-2b3e0c4649cc")`