--- title: "Fe22B6W magnetic moments" description: "Converged Mulliken magnetic moments as a magCIF (atomsite_moment) for visualization" url: "https://ouro.foundation/files/mmoderwell/fe22b6w-magnetic-moments" id: "54a5239d-e278-48b1-982a-58300bea2b0a" type: "file" --- # Fe22B6W magnetic moments File by @mmoderwell in #permanent-magnets (all) · .cif · 3.6 KB · Fe22B6W - Asset id: `54a5239d-e278-48b1-982a-58300bea2b0a` - Page: https://ouro.foundation/files/mmoderwell/fe22b6w-magnetic-moments Converged Mulliken magnetic moments as a magCIF (_atom_site_moment) for visualization ## Structure - Formula: Fe22B6W - Space group: F-43m (#216) - Lattice: a 7.5033, b 7.5033, c 7.5033 Å; α 60, β 60, γ 60° - Atoms in the cell: 29 - Volume: 298.707 ų - Density: 8.212 g/cm³ ## 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 Fe0 0.00000000 0.00000000 2.86950000 Fe1 0.00000000 0.00000000 2.37100000 Fe2 0.00000000 0.00000000 2.33880000 Fe3 0.00000000 0.00000000 2.38140000 Fe4 0.00000000 0.00000000 2.34200000 Fe5 0.00000000 0.00000000 2.36520000 Fe6 0.00000000 0.00000000 2.37760000 Fe7 0.00000000 0.00000000 2.31420000 Fe8 0.00000000 0.00000000 2.31140000 Fe9 0.00000000 0.00000000 2.29680000 Fe10 0.00000000 0.00000000 2.36110000 Fe11 0.00000000 0.00000000 2.35910000 Fe12 0.00000000 0.00000000 2.31440000 Fe13 0.00000000 0.00000000 2.14090000 Fe14 0.00000000 0.00000000 2.14250000 Fe15 0.00000000 0.00000000 2.13380000 Fe16 0.00000000 0.00000000 2.14090000 Fe17 0.00000000 0.00000000 1.68830000 Fe18 0.00000000 0.00000000 1.69440000 Fe19 0.00000000 0.00000000 1.70230000 Fe20 0.00000000 0.00000000 1.69470000 Fe21 0.00000000 0.00000000 2.83210000 B22 0.00000000 0.00000000 -0.31920000 B23 0.00000000 0.00000000 -0.33290000 B24 0.00000000 0.00000000 -0.33150000 B25 0.00000000 0.00000000 -0.32140000 B26 0.00000000 0.00000000 -0.33050000 B27 0.00000000 0.00000000 -0.33600000 W28 0.00000000 0.00000000 -0.82240000 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/33f9f592-10fa-47b2-8084-f8396cd938ba.cif?v=1790283825194 - Over Ouro MCP: `download_asset(id="54a5239d-e278-48b1-982a-58300bea2b0a")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="54a5239d-e278-48b1-982a-58300bea2b0a")`, then pass it as `input_assets={"file": "54a5239d-e278-48b1-982a-58300bea2b0a"}`. - From Python: `ouro.files.retrieve("54a5239d-e278-48b1-982a-58300bea2b0a")`