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{
"id": "mp-1187579",
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{
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{
"id": "mp-1224906",
"created_at": "2022-09-04T14:40:54.081058Z",
"structure_string": "Ge4 Pb10 S2 O24\n1.0\n7.490136 0.000000 0.000000\n0.000000 10.269671 0.000000\n0.000000 5.105264 8.921268\nGe Pb S O\n4 10 2 24\ndirect\n0.500000 0.378058 0.600491 Ge\n0.000000 0.980253 0.623898 Ge\n0.000000 0.394789 0.985380 Ge\n0.000000 0.625401 0.394227 Ge\n0.500000 0.747899 0.262128 Pb\n0.500000 0.015810 0.741614 Pb\n0.500000 0.281315 0.964861 Pb\n0.000000 0.262818 0.746045 Pb\n0.000000 0.972964 0.273193 Pb\n0.000000 0.764586 0.966119 Pb\n0.768658 0.332663 0.344239 Pb\n0.238099 0.650578 0.677282 Pb\n0.761901 0.650578 0.677282 Pb\n0.231342 0.332663 0.344239 Pb\n0.500000 0.019037 0.377839 S\n0.500000 0.600793 0.019303 S\n0.661694 0.074218 0.281855 O\n0.661460 0.644792 0.072996 O\n0.684909 0.253744 0.647390 O\n0.184386 0.910181 0.750565 O\n0.187480 0.354187 0.904334 O\n0.185389 0.749973 0.341535 O\n0.815614 0.910181 0.750565 O\n0.812520 0.354187 0.904334 O\n0.814611 0.749973 0.341535 O\n0.338306 0.074218 0.281855 O\n0.338540 0.644792 0.072996 O\n0.315091 0.253744 0.647390 O\n0.500000 0.083653 0.482161 O\n0.500000 0.432304 0.085354 O\n0.500000 0.501384 0.403700 O\n0.000000 0.881133 0.521393 O\n0.000000 0.599091 0.880896 O\n0.000000 0.521154 0.597423 O\n0.500000 0.851152 0.469212 O\n0.500000 0.672975 0.852371 O\n0.500000 0.478055 0.702125 O\n0.000000 0.177737 0.508106 O\n0.000000 0.313982 0.181154 O\n0.000000 0.502985 0.320613 O\n",
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"formula_full": "Ge4 Pb10 S2 O24",
"formula_reduced": "Ge2Pb5SO12",
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{
"id": "mp-23887",
"created_at": "2022-09-04T14:40:54.111397Z",
"structure_string": "Mg1 H12 S1 O9\n1.0\n3.980749 -4.421162 0.000000\n3.980749 4.421162 0.000000\n-0.929552 0.000000 5.876136\nMg H S O\n1 12 1 9\ndirect\n0.990903 0.990903 0.990903 Mg\n0.797127 0.184361 0.367285 H\n0.367285 0.797127 0.184361 H\n0.184361 0.367285 0.797127 H\n0.062399 0.265806 0.400786 H\n0.400786 0.062399 0.265806 H\n0.265806 0.400786 0.062399 H\n0.132701 0.733240 0.619917 H\n0.619917 0.132701 0.733240 H\n0.733240 0.619917 0.132701 H\n0.016704 0.945147 0.532676 H\n0.532676 0.016704 0.945147 H\n0.945147 0.532676 0.016704 H\n0.495349 0.495349 0.495349 S\n0.946269 0.135758 0.328769 O\n0.328769 0.946269 0.135758 O\n0.135758 0.328769 0.946269 O\n0.068191 0.874895 0.670157 O\n0.670157 0.068191 0.874895 O\n0.874895 0.670157 0.068191 O\n0.245115 0.473436 0.553429 O\n0.553429 0.245115 0.473436 O\n0.473436 0.553429 0.245115 O\n",
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{
"id": "mp-980649",
"created_at": "2022-09-04T14:40:54.124136Z",
"structure_string": "Ti1 Nb1 Ru2\n1.0\n0.000000 3.139280 3.139280\n3.139280 0.000000 3.139280\n3.139280 3.139280 0.000000\nTi Nb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
"id": "mp-1216927",
"created_at": "2022-09-04T14:40:54.099940Z",
"structure_string": "Ti3 Cr3 Si12\n1.0\n12.822953 0.000000 0.000000\n0.000000 4.596337 0.000000\n0.000000 2.277103 4.013246\nTi Cr Si\n3 3 12\ndirect\n0.249108 0.000000 0.500000 Ti\n0.585229 0.500000 0.500000 Ti\n0.082380 0.500000 0.500000 Ti\n0.915066 0.500000 0.000000 Cr\n0.419023 0.500000 0.000000 Cr\n0.749589 0.000000 0.500000 Cr\n0.913743 0.841152 0.330474 Si\n0.417651 0.835049 0.329412 Si\n0.752054 0.328344 0.842150 Si\n0.252766 0.321166 0.842699 Si\n0.583909 0.840803 0.837787 Si\n0.079679 0.835098 0.843419 Si\n0.913743 0.158848 0.669526 Si\n0.417651 0.164951 0.670588 Si\n0.752054 0.671656 0.157850 Si\n0.252766 0.678834 0.157301 Si\n0.583909 0.159197 0.162213 Si\n0.079679 0.164902 0.156581 Si\n",
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{
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{
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"structure_string": "Cu18 Se10\n1.0\n7.020977 0.000000 0.000000\n2.333178 7.770979 0.000000\n2.348153 1.409573 8.664732\nCu Se\n18 10\ndirect\n0.049305 0.451361 0.149390 Cu\n0.049428 0.949508 0.149436 Cu\n0.950572 0.050492 0.850564 Cu\n0.150442 0.350261 0.450692 Cu\n0.950695 0.548639 0.850610 Cu\n0.445960 0.551591 0.349136 Cu\n0.348957 0.650883 0.046213 Cu\n0.254098 0.749529 0.747085 Cu\n0.649474 0.849813 0.951125 Cu\n0.150904 0.849010 0.449672 Cu\n0.548994 0.950401 0.649926 Cu\n0.451006 0.049599 0.350074 Cu\n0.350526 0.150187 0.048875 Cu\n0.849096 0.150990 0.550328 Cu\n0.651043 0.349117 0.953787 Cu\n0.554040 0.448409 0.650864 Cu\n0.849558 0.649739 0.549308 Cu\n0.745902 0.250471 0.252915 Cu\n0.899423 0.850191 0.700129 Se\n0.904627 0.348830 0.699765 Se\n0.095373 0.651170 0.300235 Se\n0.299220 0.954471 0.898733 Se\n0.100577 0.149809 0.299871 Se\n0.496820 0.249672 0.503083 Se\n0.297997 0.447153 0.898387 Se\n0.702003 0.552847 0.101613 Se\n0.503180 0.750328 0.496917 Se\n0.700780 0.045529 0.101267 Se\n",
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{
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"structure_string": "Mg2 Cu4 Si2 S8\n1.0\n0.000000 0.000000 -6.204016\n0.000000 -6.457781 0.000000\n-7.566734 0.000000 0.000000\nMg Cu Si S\n2 4 2 8\ndirect\n0.997117 0.654560 0.500000 Mg\n0.497117 0.345440 0.000000 Mg\n0.006767 0.177312 0.247621 Cu\n0.006767 0.177312 0.752379 Cu\n0.506767 0.822688 0.252379 Cu\n0.506767 0.822688 0.747621 Cu\n0.498856 0.322132 0.500000 Si\n0.998856 0.677868 0.000000 Si\n0.376820 0.161630 0.270788 S\n0.376820 0.161630 0.729212 S\n0.876820 0.838370 0.229212 S\n0.876820 0.838370 0.770788 S\n0.846230 0.305844 0.500000 S\n0.346230 0.694156 0.000000 S\n0.395523 0.640676 0.500000 S\n0.895523 0.359324 0.000000 S\n",
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{
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"formula_full": "H8 C32 S4 N12 F20",
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"updated_at": "2021-11-28T01:35:01.289000Z",
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},
{
"id": "mp-862536",
"created_at": "2022-09-04T14:40:54.241379Z",
"structure_string": "La2 Cu1 Ir1\n1.0\n0.000000 3.620966 3.620966\n3.620966 0.000000 3.620966\n3.620966 3.620966 0.000000\nLa Cu Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ir\n",
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"formula_full": "La2 Cu1 Ir1",
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},
{
"id": "mp-1073864",
"created_at": "2022-09-04T14:40:54.155506Z",
"structure_string": "Mg12 Si12\n1.0\n-5.331273 0.000000 0.000000\n1.453657 6.056797 0.000000\n-0.360328 -2.670358 -14.029935\nMg Si\n12 12\ndirect\n0.126930 0.601390 0.263842 Mg\n0.366310 0.693274 0.580262 Mg\n0.711109 0.668856 0.943892 Mg\n0.069706 0.098846 0.269227 Mg\n0.348827 0.216303 0.619008 Mg\n0.765593 0.171914 0.922639 Mg\n0.633690 0.306726 0.419738 Mg\n0.930294 0.901154 0.730773 Mg\n0.234407 0.828086 0.077361 Mg\n0.651173 0.783697 0.380992 Mg\n0.873070 0.398610 0.736158 Mg\n0.288891 0.331144 0.056108 Mg\n0.544213 0.995884 0.236077 Si\n0.818044 0.107197 0.566180 Si\n0.193377 0.968257 0.904254 Si\n0.550542 0.402098 0.237809 Si\n0.874685 0.710866 0.542756 Si\n0.185083 0.545197 0.900694 Si\n0.125315 0.289134 0.457244 Si\n0.455787 0.004116 0.763923 Si\n0.814917 0.454803 0.099306 Si\n0.181956 0.892803 0.433820 Si\n0.449458 0.597902 0.762191 Si\n0.806623 0.031743 0.095746 Si\n",
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]
}