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{
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{
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"structure_string": "Fe2 Ni4 O8\n1.0\n5.023169 -0.000000 2.900129\n1.674390 4.735889 2.900129\n-0.000000 -0.000000 5.800256\nFe Ni O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Fe\n0.875000 0.875000 0.875001 Fe\n0.500000 0.500000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.275379 0.741540 0.741541 O\n0.258460 0.724622 0.258460 O\n0.724622 0.258460 0.258460 O\n0.258460 0.258460 0.258460 O\n0.258460 0.258460 0.724622 O\n0.741540 0.275379 0.741541 O\n0.741540 0.741540 0.275379 O\n0.741540 0.741540 0.741541 O\n",
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"structure_string": "Si2 Ni4 P8 O28\n1.0\n4.884937 0.000000 0.000000\n-2.442468 8.231611 -2.030851\n0.000000 -0.036934 12.255196\nSi Ni P O\n2 4 8 28\ndirect\n0.671047 0.000000 0.750000 Si\n0.328954 0.000000 0.250000 Si\n0.400123 0.504594 0.370744 Ni\n0.895529 0.495406 0.129257 Ni\n0.104471 0.504595 0.870744 Ni\n0.599877 0.495406 0.629257 Ni\n0.002119 0.251797 0.634659 P\n0.805848 0.274047 0.414508 P\n-0.002119 0.748204 0.365341 P\n0.531800 0.725953 0.085492 P\n0.249678 0.251797 0.134659 P\n0.468201 0.274048 0.914508 P\n0.750322 0.748204 0.865341 P\n0.194153 0.725953 0.585492 P\n0.909829 0.694622 0.634941 O\n0.685824 0.714801 0.382439 O\n0.733983 0.416621 0.955542 O\n0.184905 0.809874 0.483495 O\n0.784794 0.694622 0.134941 O\n0.317362 0.583380 0.544459 O\n0.897985 0.389339 0.706425 O\n0.458012 0.867773 0.170100 O\n0.818373 0.912432 0.826257 O\n0.375031 0.190126 0.016506 O\n0.682638 0.416621 0.455542 O\n0.491354 0.389339 0.206425 O\n0.314176 0.285200 0.617562 O\n0.094059 0.912431 0.326257 O\n0.215206 0.305378 0.865060 O\n0.624969 0.809874 0.983495 O\n0.508646 0.610661 0.793575 O\n0.541989 0.132228 0.829900 O\n0.102015 0.610661 0.293575 O\n0.409761 0.867773 0.670100 O\n0.590240 0.132227 0.329900 O\n0.028977 0.714801 0.882439 O\n0.971024 0.285199 0.117561 O\n0.181628 0.087569 0.173743 O\n0.815096 0.190127 0.516506 O\n0.905942 0.087569 0.673743 O\n0.090172 0.305378 0.365060 O\n0.266017 0.583379 0.044459 O\n",
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"formula_full": "Si2 Ni4 P8 O28",
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{
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"created_at": "2022-09-04T14:36:30.989162Z",
"updated_at": "2022-09-04T14:36:30.989189Z",
"structure_string": "Pr2 Ge4\n1.0\n4.025492 -0.000000 -1.174695\n-0.342792 4.010870 -1.174695\n0.333310 0.363013 8.626906\nPr Ge\n2 4\ndirect\n0.875000 0.625000 0.249999 Pr\n0.125000 0.375000 0.750000 Pr\n0.704974 0.954973 0.909947 Ge\n0.454973 0.204973 0.409947 Ge\n0.545027 0.795026 0.590052 Ge\n0.295026 0.045026 0.090053 Ge\n",
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"structure_string": "Rb2 Ga1 Hg1 F6\n1.0\n5.456645 0.000000 3.150395\n1.818882 5.144575 3.150395\n-0.000000 -0.000000 6.300790\nRb Ga Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750001 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500001 Hg\n0.216168 0.216167 0.783833 F\n0.216168 0.783832 0.783834 F\n0.783833 0.783832 0.216169 F\n0.216168 0.783832 0.216168 F\n0.783833 0.216167 0.783833 F\n0.783833 0.216167 0.216168 F\n",
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{
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"created_at": "2022-09-04T14:36:30.993473Z",
"updated_at": "2022-09-04T14:36:30.993503Z",
"structure_string": "Ca4 Sc8 O16\n1.0\n3.151166 0.000000 0.000000\n-0.000000 9.475965 0.000000\n0.000000 0.000000 11.144598\nCa Sc O\n4 8 16\ndirect\n0.750001 0.755481 0.652874 Ca\n0.250000 0.244519 0.347126 Ca\n0.750001 0.255481 0.847126 Ca\n0.250000 0.744519 0.152874 Ca\n0.250000 0.070674 0.112205 Sc\n0.750001 0.929327 0.887795 Sc\n0.750001 0.429327 0.612205 Sc\n0.250000 0.570674 0.387795 Sc\n0.250000 0.580193 0.893022 Sc\n0.750001 0.919807 0.393022 Sc\n0.250000 0.080193 0.606979 Sc\n0.750001 0.419807 0.106979 Sc\n0.250000 0.375958 0.975947 O\n0.250000 0.792100 0.827697 O\n0.750001 0.207901 0.172303 O\n0.750001 0.124042 0.475947 O\n0.250000 0.875958 0.524053 O\n0.750001 0.624043 0.024053 O\n0.750001 0.521817 0.783906 O\n0.750001 0.919833 0.075828 O\n0.750001 0.021816 0.716095 O\n0.250000 0.978184 0.283906 O\n0.750001 0.419833 0.424172 O\n0.250000 0.580168 0.575828 O\n0.750001 0.707901 0.327697 O\n0.250000 0.080168 0.924172 O\n0.250000 0.478184 0.216095 O\n0.250000 0.292100 0.672303 O\n",
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{
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"created_at": "2022-09-04T14:36:30.994265Z",
"updated_at": "2022-09-04T14:36:30.994294Z",
"structure_string": "Cu2 I4 O12\n1.0\n0.000000 5.607355 -0.025880\n5.012620 0.000000 0.000000\n0.000000 -1.134678 -9.272770\nCu I O\n2 4 12\ndirect\n0.219928 0.595912 0.744957 Cu\n0.780071 0.095912 0.255043 Cu\n0.734840 0.508043 0.931778 I\n0.265158 0.008043 0.068222 I\n0.742080 0.023875 0.598472 I\n0.257918 0.523875 0.401528 I\n0.505155 0.363806 0.791785 O\n0.494844 0.863806 0.208215 O\n0.645394 0.296311 0.081990 O\n0.354604 0.796311 0.918010 O\n0.904995 0.775875 0.726044 O\n0.137995 0.394155 0.565415 O\n0.862004 0.894155 0.434585 O\n0.018929 0.798113 0.116739 O\n0.451562 0.853328 0.585743 O\n0.548437 0.353328 0.414258 O\n0.095004 0.275875 0.273956 O\n0.981070 0.298113 0.883262 O\n",
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{
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"structure_string": "V1 Cl2\n1.0\n1.819648 -3.151724 0.000000\n1.819648 3.151724 0.000000\n0.000000 0.000000 5.631117\nV Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.666667 0.333334 0.762609 Cl\n0.333334 0.666667 0.237391 Cl\n",
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{
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{
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"created_at": "2022-09-04T14:36:31.001731Z",
"updated_at": "2022-09-04T14:36:31.001753Z",
"structure_string": "Ga6 Hg2\n1.0\n6.314845 0.000000 0.000000\n-3.157422 5.468816 0.000000\n0.000000 0.000000 4.913514\nGa Hg\n6 2\ndirect\n0.161327 0.322653 0.250000 Ga\n0.677347 0.838674 0.250000 Ga\n0.161327 0.838674 0.250000 Ga\n0.838673 0.677348 0.749999 Ga\n0.322653 0.161327 0.749999 Ga\n0.838673 0.161327 0.749999 Ga\n0.333333 0.666667 0.749999 Hg\n0.666666 0.333334 0.250000 Hg\n",
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]
}