--- title: "Mn2NiSn (Fm-3m)" description: "Mn2NiSn (requested SG: Fm-3m #225, calculated: Fm-3m #225, optimized: 400 steps, cell relaxed, symmetry refined)" url: "https://ouro.foundation/files/apollo/mn2nisn-fm-3m" id: "8436da36-2f46-427a-9597-17720258a925" type: "file" --- # Mn2NiSn (Fm-3m) File by @apollo in #materials-science (all) · .cif · 5.3 KB · Mn2NiSn - Asset id: `8436da36-2f46-427a-9597-17720258a925` - Page: https://ouro.foundation/files/apollo/mn2nisn-fm-3m Mn2NiSn (requested SG: Fm-3m #225, calculated: Fm-3m #225, optimized: 400 steps, cell relaxed, symmetry refined) ## Structure - Formula: Mn2NiSn - Space group: Fm-3m (#225) - Lattice: a 6.1932, b 6.1932, c 6.1932 Å; α 90, β 90, γ 90° - Atoms in the cell: 16 - Volume: 237.55 ų - Density: 8.033 g/cm³ ## Contents ```cif # generated using pymatgen data_Mn2NiSn _symmetry_space_group_name_H-M Fm-3m _cell_length_a 6.19324923 _cell_length_b 6.19324923 _cell_length_c 6.19324923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 225 _chemical_formula_structural Mn2NiSn _chemical_formula_sum 'Mn8 Ni4 Sn4' _cell_volume 237.55034806 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-x, -y, -z' 3 '-y, x, z' 4 'y, -x, -z' 5 '-x, -y, z' 6 'x, y, -z' 7 'y, -x, z' 8 '-y, x, -z' 9 'x, -y, -z' 10 '-x, y, z' 11 '-y, -x, -z' 12 'y, x, z' 13 '-x, y, -z' 14 'x, -y, z' 15 'y, x, -z' 16 '-y, -x, z' 17 'z, x, y' 18 '-z, -x, -y' 19 'z, -y, x' 20 '-z, y, -x' 21 'z, -x, -y' 22 '-z, x, y' 23 'z, y, -x' 24 '-z, -y, x' 25 '-z, x, -y' 26 'z, -x, y' 27 '-z, -y, -x' 28 'z, y, x' 29 '-z, -x, y' 30 'z, x, -y' 31 '-z, y, x' 32 'z, -y, -x' 33 'y, z, x' 34 '-y, -z, -x' 35 'x, z, -y' 36 '-x, -z, y' 37 '-y, z, -x' 38 'y, -z, x' 39 '-x, z, y' 40 'x, -z, -y' 41 '-y, -z, x' 42 'y, z, -x' 43 '-x, -z, -y' 44 'x, z, y' 45 'y, -z, -x' 46 '-y, z, x' 47 'x, -z, y' 48 '-x, z, -y' 49 'x+1/2, y+1/2, z' 50 '-x+1/2, -y+1/2, -z' 51 '-y+1/2, x+1/2, z' 52 'y+1/2, -x+1/2, -z' 53 '-x+1/2, -y+1/2, z' 54 'x+1/2, y+1/2, -z' 55 'y+1/2, -x+1/2, z' 56 '-y+1/2, x+1/2, -z' 57 'x+1/2, -y+1/2, -z' 58 '-x+1/2, y+1/2, z' 59 '-y+1/2, -x+1/2, -z' 60 'y+1/2, x+1/2, z' 61 '-x+1/2, y+1/2, -z' 62 'x+1/2, -y+1/2, z' 63 'y+1/2, x+1/2, -z' 64 '-y+1/2, -x+1/2, z' 65 'z+1/2, x+1/2, y' 66 '-z+1/2, -x+1/2, -y' 67 'z+1/2, -y+1/2, x' 68 '-z+1/2, y+1/2, -x' 69 'z+1/2, -x+1/2, -y' 70 '-z+1/2, x+1/2, y' 71 'z+1/2, y+1/2, -x' 72 '-z+1/2, -y+1/2, x' 73 '-z+1/2, x+1/2, -y' 74 'z+1/2, -x+1/2, y' 75 '-z+1/2, -y+1/2, -x' 76 'z+1/2, y+1/2, x' 77 '-z+1/2, -x+1/2, y' 78 'z+1/2, x+1/2, -y' 79 '-z+1/2, y+1/2, x' 80 'z+1/2, -y+1/2, -x' 81 'y+1/2, z+1/2, x' 82 '-y+1/2, -z+1/2, -x' 83 'x+1/2, z+1/2, -y' 84 '-x+1/2, -z+1/2, y' 85 '-y+1/2, z+1/2, -x' 86 'y+1/2, -z+1/2, x' 87 '-x+1/2, z+1/2, y' 88 'x+1/2, -z+1/2, -y' 89 '-y+1/2, -z+1/2, x' 90 'y+1/2, z+1/2, -x' 91 '-x+1/2, -z+1/2, -y' 92 'x+1/2, z+1/2, y' 93 'y+1/2, -z+1/2, -x' 94 '-y+1/2, z+1/2, x' 95 'x+1/2, -z+1/2, y' 96 '-x+1/2, z+1/2, -y' 97 'x+1/2, y, z+1/2' 98 '-x+1/2, -y, -z+1/2' 99 '-y+1/2, x, z+1/2' 100 'y+1/2, -x, -z+1/2' 101 '-x+1/2, -y, z+1/2' 102 'x+1/2, y, -z+1/2' 103 'y+1/2, -x, z+1/2' 104 '-y+1/2, x, -z+1/2' 105 'x+1/2, -y, -z+1/2' 106 '-x+1/2, y, z+1/2' 107 '-y+1/2, -x, -z+1/2' 108 'y+1/2, x, z+1/2' 109 '-x+1/2, y, -z+1/2' 110 'x+1/2, -y, z+1/2' 111 'y+1/2, x, -z+1/2' 112 '-y+1/2, -x, z+1/2' 113 'z+1/2, x, y+1/2' 114 '-z+1/2, -x, -y+1/2' 115 'z+1/2, -y, x+1/2' 116 '-z+1/2, y, -x+1/2' 117 'z+1/2, -x, -y+1/2' 118 '-z+1/2, x, y+1/2' 119 'z+1/2, y, -x+1/2' 120 '-z+1/2, -y, x+1/2' 121 '-z+1/2, x, -y+1/2' 122 'z+1/2, -x, y+1/2' 123 '-z+1/2, -y, -x+1/2' 124 'z+1/2, y, x+1/2' 125 '-z+1/2, -x, y+1/2' 126 'z+1/2, x, -y+1/2' 127 '-z+1/2, y, x+1/2' 128 'z+1/2, -y, -x+1/2' 129 'y+1/2, z, x+1/2' 130 '-y+1/2, -z, -x+1/2' 131 'x+1/2, z, -y+1/2' 132 '-x+1/2, -z, y+1/2' 133 '-y+1/2, z, -x+1/2' 134 'y+1/2, -z, x+1/2' 135 '-x+1/2, z, y+1/2' 136 'x+1/2, -z, -y+1/2' 137 '-y+1/2, -z, x+1/2' 138 'y+1/2, z, -x+1/2' 139 '-x+1/2, -z, -y+1/2' 140 'x+1/2, z, y+1/2' 141 'y+1/2, -z, -x+1/2' 142 '-y+1/2, z, x+1/2' 143 'x+1/2, -z, y+1/2' 144 '-x+1/2, z, -y+1/2' 145 'x, y+1/2, z+1/2' 146 '-x, -y+1/2, -z+1/2' 147 '-y, x+1/2, z+1/2' 148 'y, -x+1/2, -z+1/2' 149 '-x, -y+1/2, z+1/2' 150 'x, y+1/2, -z+1/2' 151 'y, -x+1/2, z+1/2' 152 '-y, x+1/2, -z+1/2' 153 'x, -y+1/2, -z+1/2' 154 '-x, y+1/2, z+1/2' 155 '-y, -x+1/2, -z+1/2' 156 'y, x+1/2, z+1/2' 157 '-x, y+1/2, -z+1/2' 158 'x, -y+1/2, z+1/2' 159 'y, x+1/2, -z+1/2' 160 '-y, -x+1/2, z+1/2' 161 'z, x+1/2, y+1/2' 162 '-z, -x+1/2, -y+1/2' 163 'z, -y+1/2, x+1/2' 164 '-z, y+1/2, -x+1/2' 165 'z, -x+1/2, -y+1/2' 166 '-z, x+1/2, y+1/2' 167 'z, y+1/2, -x+1/2' 168 '-z, -y+1/2, x+1/2' 169 '-z, x+1/2, -y+1/2' 170 'z, -x+1/2, y+1/2' 171 '-z, -y+1/2, -x+1/2' 172 'z, y+1/2, x+1/2' 173 '-z, -x+1/2, y+1/2' 174 'z, x+1/2, -y+1/2' 175 '-z, y+1/2, x+1/2' 176 'z, -y+1/2, -x+1/2' 177 'y, z+1/2, x+1/2' 178 '-y, -z+1/2, -x+1/2' 179 'x, z+1/2, -y+1/2' 180 '-x, -z+1/2, y+1/2' 181 '-y, z+1/2, -x+1/2' 182 'y, -z+1/2, x+1/2' 183 '-x, z+1/2, y+1/2' 184 'x, -z+1/2, -y+1/2' 185 '-y, -z+1/2, x+1/2' 186 'y, z+1/2, -x+1/2' 187 '-x, -z+1/2, -y+1/2' 188 'x, z+1/2, y+1/2' 189 'y, -z+1/2, -x+1/2' 190 '-y, z+1/2, x+1/2' 191 'x, -z+1/2, y+1/2' 192 '-x, z+1/2, -y+1/2' 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 Mn0 8 0.25000000 0.25000000 0.25000000 1 Ni Ni1 4 0.00000000 0.00000000 0.50000000 1 Sn Sn2 4 0.00000000 0.00000000 0.00000000 1 ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/05b308ba-7c14-4f7d-aefc-02f21681295c/16067772-a9f7-4aef-a3b0-0abed6d04f37.cif?v=1781791544286 - Over Ouro MCP: `download_asset(id="8436da36-2f46-427a-9597-17720258a925")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="8436da36-2f46-427a-9597-17720258a925")`, then pass it as `input_assets={"file": "8436da36-2f46-427a-9597-17720258a925"}`. - From Python: `ouro.files.retrieve("8436da36-2f46-427a-9597-17720258a925")`