--- title: "Nd2Fe14B (P4_2/mnm) 1" description: "Crystal structure CIF fetched from Materials Project for mp-5182" url: "https://ouro.foundation/files/mmoderwell/nd2fe14b-p4-2-mnm-1" id: "4f1f321c-450a-407d-9654-45b529abf4b4" type: "file" --- # Nd2Fe14B (P4_2/mnm) 1 File by @mmoderwell in #materials-science (all) · .cif · 3.9 KB · Nd2Fe14B - Asset id: `4f1f321c-450a-407d-9654-45b529abf4b4` - Page: https://ouro.foundation/files/mmoderwell/nd2fe14b-p4-2-mnm-1 Crystal structure CIF fetched from Materials Project for mp-5182 ## Structure - Formula: Nd2Fe14B - Space group: P4_2/mnm (#136) - Lattice: a 8.776, b 8.776, c 12.1194 Å; α 90, β 90, γ 90° - Atoms in the cell: 68 - Volume: 933.417 ų - Density: 7.693 g/cm³ ## Contents ```cif # generated using pymatgen data_Nd2Fe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.776004 _cell_length_b 8.776004 _cell_length_c 12.119432 _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Fe14B _chemical_formula_sum 'Nd8 Fe56 B4' _cell_volume 933.417398 _cell_formula_units_Z 4 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 Nd Nd0 1 0.857275 0.142725 0.000000 1.0 Nd Nd1 1 0.357275 0.357275 0.500000 1.0 Nd Nd2 1 0.642725 0.642725 0.500000 1.0 Nd Nd3 1 0.142725 0.857275 0.000000 1.0 Nd Nd4 1 0.731575 0.731575 0.000000 1.0 Nd Nd5 1 0.768425 0.231575 0.500000 1.0 Nd Nd6 1 0.231575 0.768425 0.500000 1.0 Nd Nd7 1 0.268425 0.268425 0.000000 1.0 Fe Fe8 1 0.567345 0.224825 0.127300 1.0 Fe Fe9 1 0.432655 0.775175 0.127300 1.0 Fe Fe10 1 0.224825 0.567345 0.872700 1.0 Fe Fe11 1 0.724825 0.932655 0.627300 1.0 Fe Fe12 1 0.275175 0.067345 0.627300 1.0 Fe Fe13 1 0.932655 0.724825 0.372700 1.0 Fe Fe14 1 0.067345 0.275175 0.372700 1.0 Fe Fe15 1 0.775175 0.432655 0.872700 1.0 Fe Fe16 1 0.432655 0.775175 0.872700 1.0 Fe Fe17 1 0.567345 0.224825 0.872700 1.0 Fe Fe18 1 0.775175 0.432655 0.127300 1.0 Fe Fe19 1 0.275175 0.067345 0.372700 1.0 Fe Fe20 1 0.724825 0.932655 0.372700 1.0 Fe Fe21 1 0.067345 0.275175 0.627300 1.0 Fe Fe22 1 0.932655 0.724825 0.627300 1.0 Fe Fe23 1 0.224825 0.567345 0.127300 1.0 Fe Fe24 1 0.360217 0.036785 0.176306 1.0 Fe Fe25 1 0.639783 0.963215 0.176306 1.0 Fe Fe26 1 0.036785 0.360217 0.823694 1.0 Fe Fe27 1 0.536785 0.139783 0.676306 1.0 Fe Fe28 1 0.463215 0.860217 0.676306 1.0 Fe Fe29 1 0.139783 0.536785 0.323694 1.0 Fe Fe30 1 0.860217 0.463215 0.323694 1.0 Fe Fe31 1 0.963215 0.639783 0.823694 1.0 Fe Fe32 1 0.639783 0.963215 0.823694 1.0 Fe Fe33 1 0.360217 0.036785 0.823694 1.0 Fe Fe34 1 0.963215 0.639783 0.176306 1.0 Fe Fe35 1 0.463215 0.860217 0.323694 1.0 Fe Fe36 1 0.536785 0.139783 0.323694 1.0 Fe Fe37 1 0.860217 0.463215 0.676306 1.0 Fe Fe38 1 0.139783 0.536785 0.676306 1.0 Fe Fe39 1 0.036785 0.360217 0.176306 1.0 Fe Fe40 1 0.902056 0.902056 0.795379 1.0 Fe Fe41 1 0.097944 0.097944 0.795379 1.0 Fe Fe42 1 0.902056 0.902056 0.204621 1.0 Fe Fe43 1 0.402056 0.597944 0.295379 1.0 Fe Fe44 1 0.597944 0.402056 0.295379 1.0 Fe Fe45 1 0.597944 0.402056 0.704621 1.0 Fe Fe46 1 0.402056 0.597944 0.704621 1.0 Fe Fe47 1 0.097944 0.097944 0.204621 1.0 Fe Fe48 1 0.682181 0.682181 0.754320 1.0 Fe Fe49 1 0.317819 0.317819 0.754320 1.0 Fe Fe50 1 0.682181 0.682181 0.245680 1.0 Fe Fe51 1 0.182181 0.817819 0.254320 1.0 Fe Fe52 1 0.817819 0.182181 0.254320 1.0 Fe Fe53 1 0.817819 0.182181 0.745680 1.0 Fe Fe54 1 0.182181 0.817819 0.745680 1.0 Fe Fe55 1 0.317819 0.317819 0.245680 1.0 Fe Fe56 1 0.000000 0.000000 0.615079 1.0 Fe Fe57 1 0.500000 0.500000 0.115079 1.0 Fe Fe58 1 0.500000 0.500000 0.884921 1.0 Fe Fe59 1 0.000000 0.000000 0.384921 1.0 Fe Fe60 1 0.500000 0.000000 0.000000 1.0 Fe Fe61 1 0.500000 0.000000 0.500000 1.0 Fe Fe62 1 0.000000 0.500000 0.500000 1.0 Fe Fe63 1 0.000000 0.500000 0.000000 1.0 B B64 1 0.623181 0.376819 0.000000 1.0 B B65 1 0.123181 0.123181 0.500000 1.0 B B66 1 0.876819 0.876819 0.500000 1.0 B B67 1 0.376819 0.623181 0.000000 1.0 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/dab33596-2011-40d3-8116-7c34dc9cdfa2.cif?v=1790268774251 - Over Ouro MCP: `download_asset(id="4f1f321c-450a-407d-9654-45b529abf4b4")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="4f1f321c-450a-407d-9654-45b529abf4b4")`, then pass it as `input_assets={"file": "4f1f321c-450a-407d-9654-45b529abf4b4"}`. - From Python: `ouro.files.retrieve("4f1f321c-450a-407d-9654-45b529abf4b4")`