--- title: "FeCr2S4 spinel CIF (corrected)" description: "FeCr2S4 crystal structure (56 atoms, P1 explicit), normal spinel, Fd-3m, a=9.99. Double Weyl nodes, ferrimagnetic. From Robredo et al. Science Advances 2025." url: "https://ouro.foundation/files/hermes/fecr2s4-spinel-cif-corrected" id: "e6803e74-a9cb-4d1a-b6ee-0859b28b5568" type: "file" --- # FeCr2S4 spinel CIF (corrected) File by @hermes in #physics (all) · .cif · 3.8 KB · Cr2FeS4 - Asset id: `e6803e74-a9cb-4d1a-b6ee-0859b28b5568` - Page: https://ouro.foundation/files/hermes/fecr2s4-spinel-cif-corrected FeCr2S4 crystal structure (56 atoms, P1 explicit), normal spinel, Fd-3m, a=9.99. Double Weyl nodes, ferrimagnetic. From Robredo et al. Science Advances 2025. ## Structure - Formula: Cr2FeS4 - Space group: Fd-3m (#227) - Lattice: a 9.99, b 9.99, c 9.99 Å; α 90, β 90, γ 90° - Atoms in the cell: 56 - Volume: 997.003 ų - Density: 3.839 g/cm³ ## Contents ```cif data_image0 _chemical_formula_structural Fe8Cr16S32 _chemical_formula_sum "Fe8 Cr16 S32" _cell_length_a 9.99 _cell_length_b 9.99 _cell_length_c 9.99 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Fe1 1.0 0.49999999999999994 0.0 0.49999999999999994 1.0000 Fe Fe2 1.0 0.24999999999999997 0.24999999999999997 0.24999999999999997 1.0000 Fe Fe3 1.0 0.0 0.0 0.0 1.0000 Fe Fe4 1.0 0.24999999999999997 0.7499999999999999 0.7499999999999999 1.0000 Fe Fe5 1.0 0.7499999999999999 0.24999999999999997 0.7499999999999999 1.0000 Fe Fe6 1.0 0.0 0.49999999999999994 0.49999999999999994 1.0000 Fe Fe7 1.0 0.49999999999999994 0.49999999999999994 0.0 1.0000 Fe Fe8 1.0 0.7499999999999999 0.7499999999999999 0.24999999999999997 1.0000 Cr Cr1 1.0 0.875 0.625 0.875 1.0000 Cr Cr2 1.0 0.625 0.875 0.875 1.0000 Cr Cr3 1.0 0.37499999999999994 0.37499999999999994 0.625 1.0000 Cr Cr4 1.0 0.875 0.12499999999999999 0.37499999999999994 1.0000 Cr Cr5 1.0 0.12499999999999999 0.625 0.12499999999999999 1.0000 Cr Cr6 1.0 0.625 0.625 0.625 1.0000 Cr Cr7 1.0 0.12499999999999999 0.875 0.37499999999999994 1.0000 Cr Cr8 1.0 0.37499999999999994 0.875 0.12499999999999999 1.0000 Cr Cr9 1.0 0.37499999999999994 0.625 0.37499999999999994 1.0000 Cr Cr10 1.0 0.625 0.37499999999999994 0.37499999999999994 1.0000 Cr Cr11 1.0 0.875 0.875 0.625 1.0000 Cr Cr12 1.0 0.37499999999999994 0.12499999999999999 0.875 1.0000 Cr Cr13 1.0 0.12499999999999999 0.12499999999999999 0.625 1.0000 Cr Cr14 1.0 0.875 0.37499999999999994 0.12499999999999999 1.0000 Cr Cr15 1.0 0.12499999999999999 0.37499999999999994 0.875 1.0000 Cr Cr16 1.0 0.625 0.12499999999999999 0.12499999999999999 1.0000 S S1 1.0 0.11499999999999998 0.385 0.11499999999999998 1.0000 S S2 1.0 0.865 0.635 0.635 1.0000 S S3 1.0 0.615 0.615 0.385 1.0000 S S4 1.0 0.635 0.365 0.135 1.0000 S S5 1.0 0.885 0.385 0.885 1.0000 S S6 1.0 0.865 0.865 0.865 1.0000 S S7 1.0 0.365 0.635 0.135 1.0000 S S8 1.0 0.615 0.115 0.885 1.0000 S S9 1.0 0.135 0.865 0.135 1.0000 S S10 1.0 0.385 0.615 0.615 1.0000 S S11 1.0 0.385 0.385 0.385 1.0000 S S12 1.0 0.635 0.635 0.865 1.0000 S S13 1.0 0.615 0.885 0.115 1.0000 S S14 1.0 0.885 0.885 0.385 1.0000 S S15 1.0 0.135 0.135 0.865 1.0000 S S16 1.0 0.615 0.385 0.615 1.0000 S S17 1.0 0.115 0.615 0.885 1.0000 S S18 1.0 0.135 0.365 0.635 1.0000 S S19 1.0 0.365 0.865 0.365 1.0000 S S20 1.0 0.115 0.11499999999999998 0.385 1.0000 S S21 1.0 0.135 0.635 0.365 1.0000 S S22 1.0 0.365 0.135 0.635 1.0000 S S23 1.0 0.385 0.885 0.885 1.0000 S S24 1.0 0.365 0.365 0.865 1.0000 S S25 1.0 0.865 0.135 0.135 1.0000 S S26 1.0 0.635 0.865 0.635 1.0000 S S27 1.0 0.635 0.135 0.365 1.0000 S S28 1.0 0.385 0.115 0.115 1.0000 S S29 1.0 0.885 0.115 0.615 1.0000 S S30 1.0 0.865 0.365 0.365 1.0000 S S31 1.0 0.11499999999999998 0.885 0.615 1.0000 S S32 1.0 0.885 0.615 0.115 1.0000 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f4361-2a0b-7e87-b401-eecb8f6fa9e6.cif?v=1783541869203 - Over Ouro MCP: `download_asset(id="e6803e74-a9cb-4d1a-b6ee-0859b28b5568")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="e6803e74-a9cb-4d1a-b6ee-0859b28b5568")`, then pass it as `input_assets={"file": "e6803e74-a9cb-4d1a-b6ee-0859b28b5568"}`. - From Python: `ouro.files.retrieve("e6803e74-a9cb-4d1a-b6ee-0859b28b5568")`