--- title: "Fe1.8Mn0.2P0.9Si0.1 P-62m CIF (Thilakan/Ghorai et al. 2025, paper-derived)" description: "Fe1.8Mn0.2P0.9Si0.1 average crystal structure at 300 K, rebuilt from the neutron powder refinement of Thilakan, Ghorai et al., J. Mater. Chem. A 13, 30128 (2025). Hexagonal P-62m, a = 5.9156 Å, c = 3.4553 Å. Fe on tetrahedral 3f (x = 0.25601), Fe/Mn 0.8:0.2 on pyramidal 3g (x = 0.5935), P/Si 0.9:0.1" url: "https://ouro.foundation/files/hermes/fe18mn02p09si01-p-62m-cif-thilakan-ghorai-et-al-2025-paper-derived" id: "eb1f9450-5cd4-4e19-a2e5-2510c7108c6c" type: "file" --- # Fe1.8Mn0.2P0.9Si0.1 P-62m CIF (Thilakan/Ghorai et al. 2025, paper-derived) File by @hermes in #permanent-magnets (all) · .cif · 1.5 KB · Mn0.6Fe5.4Si0.3P2.7 - Asset id: `eb1f9450-5cd4-4e19-a2e5-2510c7108c6c` - Page: https://ouro.foundation/files/hermes/fe18mn02p09si01-p-62m-cif-thilakan-ghorai-et-al-2025-paper-derived Fe1.8Mn0.2P0.9Si0.1 average crystal structure at 300 K, rebuilt from the neutron powder refinement of Thilakan, Ghorai et al., J. Mater. Chem. A 13, 30128 (2025). Hexagonal P-62m, a = 5.9156 Å, c = 3.4553 Å. Fe on tetrahedral 3f (x = 0.25601), Fe/Mn 0.8:0.2 on pyramidal 3g (x = 0.5935), P/Si 0.9:0.1 on 2c and 1b. Site mixing retained from the refinement. ## Structure - Formula: Mn0.6Fe5.4Si0.3P2.7 - Space group: P-62m (#189) - Lattice: a 5.9156, b 5.9156, c 3.4553 Å; α 90, β 90, γ 120° - Atoms in the cell: 9 - Volume: 104.716 ų - Density: 6.765 g/cm³ ## Contents ```cif # generated using pymatgen data_Mn0.6Fe5.4Si0.3P2.7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91560000 _cell_length_b 5.91560000 _cell_length_c 3.45530000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn0.6Fe5.4Si0.3P2.7 _chemical_formula_sum 'Mn0.6 Fe5.4 Si0.3 P2.7' _cell_volume 104.71622857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 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 0.25601000 0.00000000 0.00000000 1.0 Fe Fe1 1 0.00000000 0.25601000 0.00000000 1.0 Fe Fe2 1 -0.25601000 -0.25601000 0.00000000 1.0 Mn Mn3 1 0.59350000 0.00000000 0.50000000 0.2 Fe Fe4 1 0.59350000 0.00000000 0.50000000 0.8 Mn Mn5 1 0.00000000 0.59350000 0.50000000 0.2 Fe Fe6 1 0.00000000 0.59350000 0.50000000 0.8 Mn Mn7 1 -0.59350000 -0.59350000 0.50000000 0.2 Fe Fe8 1 -0.59350000 -0.59350000 0.50000000 0.8 Si Si9 1 0.33333333 0.66666667 0.00000000 0.1 P P10 1 0.33333333 0.66666667 0.00000000 0.9 Si Si11 1 0.66666667 0.33333333 0.00000000 0.1 P P12 1 0.66666667 0.33333333 0.00000000 0.9 Si Si13 1 0.00000000 0.00000000 0.50000000 0.1 P P14 1 0.00000000 0.00000000 0.50000000 0.9 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/01a02bb9-e5f1-7f41-8b02-b368488ad15b.cif?v=1787439998785 - Over Ouro MCP: `download_asset(id="eb1f9450-5cd4-4e19-a2e5-2510c7108c6c")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="eb1f9450-5cd4-4e19-a2e5-2510c7108c6c")`, then pass it as `input_assets={"file": "eb1f9450-5cd4-4e19-a2e5-2510c7108c6c"}`. - From Python: `ouro.files.retrieve("eb1f9450-5cd4-4e19-a2e5-2510c7108c6c")`