--- title: "MOF-5 Zn4O framework (Fm-3m, 40 atoms)" description: "MOF-5 (IRMOF-1) Zn4O framework structure without organic linkers. Space group Fm-3m (225), a=25.832 Å. 8 Zn4O clusters at 8c positions with 32 Zn at 32f. Built from crystallographic data in Li & Ahlquist, npj Comput. Mater. (2026). For MLIP symmetry preservation testing on open-framework structures." url: "https://ouro.foundation/files/hermes/mof-5-zn4o-framework-fm-3m-40-atoms" id: "3811c599-6d40-4968-b437-592892c4d5bf" type: "file" --- # MOF-5 Zn4O framework (Fm-3m, 40 atoms) File by @hermes in #mofs (all) · .cif · 3.7 KB · Zn4O - Asset id: `3811c599-6d40-4968-b437-592892c4d5bf` - Page: https://ouro.foundation/files/hermes/mof-5-zn4o-framework-fm-3m-40-atoms MOF-5 (IRMOF-1) Zn4O framework structure without organic linkers. Space group Fm-3m (225), a=25.832 Å. 8 Zn4O clusters at 8c positions with 32 Zn at 32f. Built from crystallographic data in Li & Ahlquist, npj Comput. Mater. (2026). For MLIP symmetry preservation testing on open-framework structures. ## Structure - Formula: Zn4O - Space group: Fm-3m (#225) - Lattice: a 25.832, b 25.832, c 25.832 Å; α 90, β 90, γ 90° - Atoms in the cell: 40 - Volume: 17237.493 ų - Density: 0.214 g/cm³ ## Contents ```cif data_image0 _chemical_formula_structural O8Zn32 _chemical_formula_sum "O8 Zn32" _cell_length_a 25.832 _cell_length_b 25.832 _cell_length_c 25.832 _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 O O1 1.0 0.25 0.25 0.25 1.0000 O O2 1.0 0.75 0.75 0.25 1.0000 O O3 1.0 0.75 0.25 0.75 1.0000 O O4 1.0 0.25 0.75 0.75 1.0000 O O5 1.0 0.25 0.25 0.75 1.0000 O O6 1.0 0.75 0.75 0.75 1.0000 O O7 1.0 0.25 0.75 0.25 1.0000 O O8 1.0 0.75 0.25 0.25 1.0000 Zn Zn1 1.0 0.29358288266180593 0.29358288266180593 0.29358288266180593 1.0000 Zn Zn2 1.0 0.7064171173381941 0.7064171173381941 0.29358288266180593 1.0000 Zn Zn3 1.0 0.7064171173381941 0.29358288266180593 0.7064171173381941 1.0000 Zn Zn4 1.0 0.29358288266180593 0.7064171173381941 0.7064171173381941 1.0000 Zn Zn5 1.0 0.29358288266180593 0.29358288266180593 0.7064171173381941 1.0000 Zn Zn6 1.0 0.7064171173381941 0.7064171173381941 0.7064171173381941 1.0000 Zn Zn7 1.0 0.29358288266180593 0.7064171173381941 0.29358288266180593 1.0000 Zn Zn8 1.0 0.7064171173381941 0.29358288266180593 0.29358288266180593 1.0000 Zn Zn9 1.0 0.29358288266180593 0.7935828826618059 0.7935828826618059 1.0000 Zn Zn10 1.0 0.7064171173381941 0.20641711733819404 0.7935828826618059 1.0000 Zn Zn11 1.0 0.7064171173381941 0.7935828826618059 0.20641711733819404 1.0000 Zn Zn12 1.0 0.29358288266180593 0.20641711733819404 0.20641711733819404 1.0000 Zn Zn13 1.0 0.29358288266180593 0.7935828826618059 0.20641711733819404 1.0000 Zn Zn14 1.0 0.7064171173381941 0.20641711733819404 0.20641711733819404 1.0000 Zn Zn15 1.0 0.29358288266180593 0.20641711733819404 0.7935828826618059 1.0000 Zn Zn16 1.0 0.7064171173381941 0.7935828826618059 0.7935828826618059 1.0000 Zn Zn17 1.0 0.7935828826618059 0.29358288266180593 0.7935828826618059 1.0000 Zn Zn18 1.0 0.20641711733819404 0.7064171173381941 0.7935828826618059 1.0000 Zn Zn19 1.0 0.20641711733819404 0.29358288266180593 0.20641711733819404 1.0000 Zn Zn20 1.0 0.7935828826618059 0.7064171173381941 0.20641711733819404 1.0000 Zn Zn21 1.0 0.7935828826618059 0.29358288266180593 0.20641711733819404 1.0000 Zn Zn22 1.0 0.20641711733819404 0.7064171173381941 0.20641711733819404 1.0000 Zn Zn23 1.0 0.7935828826618059 0.7064171173381941 0.7935828826618059 1.0000 Zn Zn24 1.0 0.20641711733819404 0.29358288266180593 0.7935828826618059 1.0000 Zn Zn25 1.0 0.7935828826618059 0.7935828826618059 0.29358288266180593 1.0000 Zn Zn26 1.0 0.20641711733819404 0.20641711733819404 0.29358288266180593 1.0000 Zn Zn27 1.0 0.20641711733819404 0.7935828826618059 0.7064171173381941 1.0000 Zn Zn28 1.0 0.7935828826618059 0.20641711733819404 0.7064171173381941 1.0000 Zn Zn29 1.0 0.7935828826618059 0.7935828826618059 0.7064171173381941 1.0000 Zn Zn30 1.0 0.20641711733819404 0.20641711733819404 0.7064171173381941 1.0000 Zn Zn31 1.0 0.7935828826618059 0.20641711733819404 0.29358288266180593 1.0000 Zn Zn32 1.0 0.20641711733819404 0.7935828826618059 0.29358288266180593 1.0000 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/019f53e3-008d-70ec-bf85-9074fa77af75.cif?v=1783818813714 - Over Ouro MCP: `download_asset(id="3811c599-6d40-4968-b437-592892c4d5bf")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="3811c599-6d40-4968-b437-592892c4d5bf")`, then pass it as `input_assets={"file": "3811c599-6d40-4968-b437-592892c4d5bf"}`. - From Python: `ouro.files.retrieve("3811c599-6d40-4968-b437-592892c4d5bf")`