--- title: "MnFe4(CoB2)2_SG38_n11atoms.cif 1 - 3x3x3 supercell" description: "Supercell 3x3x3 of MnFe4(CoB2)2 (Space group: Amm2, 108 symmetry operations)" url: "https://ouro.foundation/files/mmoderwell/mnfe4cob22-sg38-n11atomscif-1-3x3x3-supercell" id: "0d7b1a25-5f44-4d21-92f5-5ca84035b901" type: "file" --- # MnFe4(CoB2)2_SG38_n11atoms.cif 1 - 3x3x3 supercell File by @mmoderwell in #permanent-magnets (all) · .cif · 4.6 KB - Asset id: `0d7b1a25-5f44-4d21-92f5-5ca84035b901` - Page: https://ouro.foundation/files/mmoderwell/mnfe4cob22-sg38-n11atomscif-1-3x3x3-supercell Supercell 3x3x3 of MnFe4(CoB2)2 (Space group: Amm2, 108 symmetry operations) ## Contents ```cif # generated using pymatgen data_MnFe4(CoB2)2 _symmetry_space_group_name_H-M Amm2 _cell_length_a 18.07082232 _cell_length_b 22.31205969 _cell_length_c 8.62124658 _cell_angle_alpha 89.99722710 _cell_angle_beta 90.00022927 _cell_angle_gamma 128.17824349 _symmetry_Int_Tables_number 38 _chemical_formula_structural MnFe4(CoB2)2 _chemical_formula_sum 'Mn27 Fe108 Co54 B108' _cell_volume 2732.50417154 _cell_formula_units_Z 27 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-x+1/838, -x+y+1/1000, -z+79/235' 3 'x, y, -z+79/235' 4 '-x+1/838, -x+y+1/1000, z' 5 'x+2/3, y, z' 6 '-x+559/837, -x+y+1/1000, -z+79/235' 7 'x+2/3, y, -z+79/235' 8 '-x+559/837, -x+y+1/1000, z' 9 'x+1/3, y, z' 10 '-x+187/559, -x+y+1/1000, -z+79/235' 11 'x+1/3, y, -z+79/235' 12 '-x+187/559, -x+y+1/1000, z' 13 'x+2/3, y+2/3, z' 14 '-x+559/837, -x+y+373/559, -z+79/235' 15 'x+2/3, y+2/3, -z+79/235' 16 '-x+559/837, -x+y+373/559, z' 17 'x+1/3, y+2/3, z' 18 '-x+187/559, -x+y+373/559, -z+79/235' 19 'x+1/3, y+2/3, -z+79/235' 20 '-x+187/559, -x+y+373/559, z' 21 'x, y+2/3, z' 22 '-x+1/838, -x+y+373/559, -z+79/235' 23 'x, y+2/3, -z+79/235' 24 '-x+1/838, -x+y+373/559, z' 25 'x+1/3, y+1/3, z' 26 '-x+187/559, -x+y+187/560, -z+79/235' 27 'x+1/3, y+1/3, -z+79/235' 28 '-x+187/559, -x+y+187/560, z' 29 'x, y+1/3, z' 30 '-x+1/838, -x+y+187/560, -z+79/235' 31 'x, y+1/3, -z+79/235' 32 '-x+1/838, -x+y+187/560, z' 33 'x+2/3, y+1/3, z' 34 '-x+559/837, -x+y+187/560, -z+79/235' 35 'x+2/3, y+1/3, -z+79/235' 36 '-x+559/837, -x+y+187/560, z' 37 'x, y, z+2/3' 38 '-x+1/838, -x+y+1/1000, -z+1/353' 39 'x, y, -z+1/353' 40 '-x+1/838, -x+y+1/1000, z+2/3' 41 'x+2/3, y, z+2/3' 42 '-x+559/837, -x+y+1/1000, -z+1/353' 43 'x+2/3, y, -z+1/353' 44 '-x+559/837, -x+y+1/1000, z+2/3' 45 'x+1/3, y, z+2/3' 46 '-x+187/559, -x+y+1/1000, -z+1/353' 47 'x+1/3, y, -z+1/353' 48 '-x+187/559, -x+y+1/1000, z+2/3' 49 'x+2/3, y+2/3, z+2/3' 50 '-x+559/837, -x+y+373/559, -z+1/353' 51 'x+2/3, y+2/3, -z+1/353' 52 '-x+559/837, -x+y+373/559, z+2/3' 53 'x+1/3, y+2/3, z+2/3' 54 '-x+187/559, -x+y+373/559, -z+1/353' 55 'x+1/3, y+2/3, -z+1/353' 56 '-x+187/559, -x+y+373/559, z+2/3' 57 'x, y+2/3, z+2/3' 58 '-x+1/838, -x+y+373/559, -z+1/353' 59 'x, y+2/3, -z+1/353' 60 '-x+1/838, -x+y+373/559, z+2/3' 61 'x+1/3, y+1/3, z+2/3' 62 '-x+187/559, -x+y+187/560, -z+1/353' 63 'x+1/3, y+1/3, -z+1/353' 64 '-x+187/559, -x+y+187/560, z+2/3' 65 'x, y+1/3, z+2/3' 66 '-x+1/838, -x+y+187/560, -z+1/353' 67 'x, y+1/3, -z+1/353' 68 '-x+1/838, -x+y+187/560, z+2/3' 69 'x+2/3, y+1/3, z+2/3' 70 '-x+559/837, -x+y+187/560, -z+1/353' 71 'x+2/3, y+1/3, -z+1/353' 72 '-x+559/837, -x+y+187/560, z+2/3' 73 'x, y, z+1/3' 74 '-x+1/838, -x+y+1/1000, -z+551/823' 75 'x, y, -z+551/823' 76 '-x+1/838, -x+y+1/1000, z+1/3' 77 'x+2/3, y, z+1/3' 78 '-x+559/837, -x+y+1/1000, -z+551/823' 79 'x+2/3, y, -z+551/823' 80 '-x+559/837, -x+y+1/1000, z+1/3' 81 'x+1/3, y, z+1/3' 82 '-x+187/559, -x+y+1/1000, -z+551/823' 83 'x+1/3, y, -z+551/823' 84 '-x+187/559, -x+y+1/1000, z+1/3' 85 'x+2/3, y+2/3, z+1/3' 86 '-x+559/837, -x+y+373/559, -z+551/823' 87 'x+2/3, y+2/3, -z+551/823' 88 '-x+559/837, -x+y+373/559, z+1/3' 89 'x+1/3, y+2/3, z+1/3' 90 '-x+187/559, -x+y+373/559, -z+551/823' 91 'x+1/3, y+2/3, -z+551/823' 92 '-x+187/559, -x+y+373/559, z+1/3' 93 'x, y+2/3, z+1/3' 94 '-x+1/838, -x+y+373/559, -z+551/823' 95 'x, y+2/3, -z+551/823' 96 '-x+1/838, -x+y+373/559, z+1/3' 97 'x+1/3, y+1/3, z+1/3' 98 '-x+187/559, -x+y+187/560, -z+551/823' 99 'x+1/3, y+1/3, -z+551/823' 100 '-x+187/559, -x+y+187/560, z+1/3' 101 'x, y+1/3, z+1/3' 102 '-x+1/838, -x+y+187/560, -z+551/823' 103 'x, y+1/3, -z+551/823' 104 '-x+1/838, -x+y+187/560, z+1/3' 105 'x+2/3, y+1/3, z+1/3' 106 '-x+559/837, -x+y+187/560, -z+551/823' 107 'x+2/3, y+1/3, -z+551/823' 108 '-x+559/837, -x+y+187/560, z+1/3' 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 Mn Mn2 27 0.00059656 0.54865470 0.00141729 1.0 Fe Fe5 54 0.11556541 0.67981988 0.16806413 1.0 Fe Fe4 27 0.00051997 0.33529409 0.00173585 1.0 Fe Fe6 27 0.00054165 0.77924866 0.16794074 1.0 Co Co1 54 0.14007801 0.12008895 0.00144934 1.0 B B9 54 0.10370101 0.90676413 0.16805196 1.0 B B7 54 0.10630434 0.19353772 0.00132865 1.0 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/847f4445-78ee-41b1-913b-5bd155c71b13/3c2c6505-940d-4001-a277-39d5aadcd7ed.cif?v=1758024174640 - Over Ouro MCP: `download_asset(id="0d7b1a25-5f44-4d21-92f5-5ca84035b901")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="0d7b1a25-5f44-4d21-92f5-5ca84035b901")`, then pass it as `input_assets={"file": "0d7b1a25-5f44-4d21-92f5-5ca84035b901"}`. - From Python: `ouro.files.retrieve("0d7b1a25-5f44-4d21-92f5-5ca84035b901")`