--- title: "Gd2Fe17 (mp-1196805, P6_3/mmc)" description: "Materials Project GGA structure of Gd2Fe17 (hexagonal variant; the rhombohedral R-3m polymorph mp-581734 is 0.3 meV/atom higher in MP). Ferrimagnet, Gd antiparallel to Fe." url: "https://ouro.foundation/files/mmoderwell/gd2fe17-mp-1196805-p6-3-mmc" id: "ed5a1a4a-5e33-40b0-a6aa-7cbe884aee05" type: "file" --- # Gd2Fe17 (mp-1196805, P6_3/mmc) File by @mmoderwell in #permanent-magnets (all) · .cif · 2.4 KB · Gd2Fe17 - Asset id: `ed5a1a4a-5e33-40b0-a6aa-7cbe884aee05` - Page: https://ouro.foundation/files/mmoderwell/gd2fe17-mp-1196805-p6-3-mmc Materials Project GGA structure of Gd2Fe17 (hexagonal variant; the rhombohedral R-3m polymorph mp-581734 is 0.3 meV/atom higher in MP). Ferrimagnet, Gd antiparallel to Fe. ## Structure - Formula: Gd2Fe17 - Space group: P6_3/mmc (#194) - Lattice: a 8.5258, b 8.5258, c 8.2798 Å; α 90, β 90, γ 120° - Atoms in the cell: 38 - Volume: 521.212 ų - Density: 8.053 g/cm³ ## Contents ```cif # generated using pymatgen data_Gd2Fe17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.525753 _cell_length_b 8.525753 _cell_length_c 8.279772 _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 120.000008 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2Fe17 _chemical_formula_sum 'Gd4 Fe34' _cell_volume 521.212077 _cell_formula_units_Z 2 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 Gd Gd0 1 0.000000 0.000000 0.250000 1.0 Gd Gd1 1 0.000000 0.000000 0.750000 1.0 Gd Gd2 1 0.333333 0.666667 0.750000 1.0 Gd Gd3 1 0.666667 0.333333 0.250000 1.0 Fe Fe4 1 0.333333 0.666667 0.392266 1.0 Fe Fe5 1 0.666667 0.333333 0.607734 1.0 Fe Fe6 1 0.666667 0.333333 0.892266 1.0 Fe Fe7 1 0.333333 0.666667 0.107734 1.0 Fe Fe8 1 0.500000 0.500000 0.500000 1.0 Fe Fe9 1 0.500000 0.000000 0.500000 1.0 Fe Fe10 1 0.000000 0.500000 0.500000 1.0 Fe Fe11 1 0.500000 0.500000 0.000000 1.0 Fe Fe12 1 0.500000 0.000000 0.000000 1.0 Fe Fe13 1 0.000000 0.500000 0.000000 1.0 Fe Fe14 1 0.329128 0.367708 0.250000 1.0 Fe Fe15 1 0.632292 0.961420 0.250000 1.0 Fe Fe16 1 0.038580 0.670872 0.250000 1.0 Fe Fe17 1 0.632292 0.670872 0.250000 1.0 Fe Fe18 1 0.038580 0.367708 0.250000 1.0 Fe Fe19 1 0.329128 0.961420 0.250000 1.0 Fe Fe20 1 0.670872 0.632292 0.750000 1.0 Fe Fe21 1 0.367708 0.038580 0.750000 1.0 Fe Fe22 1 0.961420 0.329128 0.750000 1.0 Fe Fe23 1 0.367708 0.329128 0.750000 1.0 Fe Fe24 1 0.961420 0.632292 0.750000 1.0 Fe Fe25 1 0.670872 0.038580 0.750000 1.0 Fe Fe26 1 0.165885 0.834115 0.513214 1.0 Fe Fe27 1 0.165885 0.331769 0.513214 1.0 Fe Fe28 1 0.668231 0.834115 0.513214 1.0 Fe Fe29 1 0.834115 0.165885 0.486786 1.0 Fe Fe30 1 0.834115 0.668231 0.486786 1.0 Fe Fe31 1 0.331769 0.165885 0.486786 1.0 Fe Fe32 1 0.834115 0.165885 0.013214 1.0 Fe Fe33 1 0.834115 0.668231 0.013214 1.0 Fe Fe34 1 0.331769 0.165885 0.013214 1.0 Fe Fe35 1 0.165885 0.834115 0.986786 1.0 Fe Fe36 1 0.165885 0.331769 0.986786 1.0 Fe Fe37 1 0.668231 0.834115 0.986786 1.0 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/786237ae-2708-41fe-8942-ec3350fa369b.cif?v=1790637420428 - Over Ouro MCP: `download_asset(id="ed5a1a4a-5e33-40b0-a6aa-7cbe884aee05")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="ed5a1a4a-5e33-40b0-a6aa-7cbe884aee05")`, then pass it as `input_assets={"file": "ed5a1a4a-5e33-40b0-a6aa-7cbe884aee05"}`. - From Python: `ouro.files.retrieve("ed5a1a4a-5e33-40b0-a6aa-7cbe884aee05")`