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{
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{
"id": "mp-768459",
"created_at": "2022-09-04T14:39:08.471050Z",
"structure_string": "Ti8 S12 O48\n1.0\n8.713690 0.000000 0.000000\n0.000000 8.669752 0.000000\n0.000000 8.565744 12.046249\nTi S O\n8 12 48\ndirect\n0.462429 0.630121 0.618210 Ti\n0.962429 0.369879 0.881790 Ti\n0.538168 0.134385 0.116523 Ti\n0.038168 0.865615 0.383477 Ti\n0.961832 0.134385 0.616523 Ti\n0.461832 0.865615 0.883477 Ti\n0.037571 0.630121 0.118210 Ti\n0.537571 0.369879 0.381790 Ti\n0.752473 0.539522 0.496093 S\n0.612928 0.249784 0.851469 S\n0.892111 0.957506 0.145902 S\n0.112928 0.750216 0.648531 S\n0.392111 0.042494 0.354098 S\n0.252473 0.460478 0.003907 S\n0.747527 0.539522 0.996093 S\n0.607889 0.957506 0.645902 S\n0.887072 0.249784 0.351469 S\n0.107889 0.042494 0.854098 S\n0.387072 0.750216 0.148531 S\n0.247527 0.460478 0.503907 S\n0.138658 0.618130 0.434170 O\n0.110665 0.208157 0.859520 O\n0.315305 0.477735 0.590068 O\n0.414930 0.900990 0.164734 O\n0.633212 0.531317 0.569018 O\n0.775922 0.308474 0.822655 O\n0.582730 0.177040 0.968396 O\n0.005314 0.923240 0.230315 O\n0.736623 0.982556 0.176605 O\n0.833551 0.722781 0.439863 O\n0.938262 0.130607 0.037890 O\n0.507774 0.410643 0.779652 O\n0.007774 0.589357 0.720348 O\n0.438262 0.869393 0.462110 O\n0.333551 0.277219 0.060137 O\n0.236623 0.017444 0.323395 O\n0.082730 0.822960 0.531604 O\n0.505314 0.076760 0.269685 O\n0.275922 0.691526 0.677345 O\n0.133212 0.468683 0.930982 O\n0.815305 0.522265 0.909932 O\n0.610665 0.791843 0.640480 O\n0.914930 0.099010 0.335266 O\n0.638658 0.381870 0.065830 O\n0.361342 0.618130 0.934170 O\n0.085070 0.900990 0.664734 O\n0.389335 0.208157 0.359520 O\n0.184695 0.477735 0.090068 O\n0.866788 0.531317 0.069018 O\n0.724078 0.308474 0.322655 O\n0.494686 0.923240 0.730315 O\n0.917270 0.177040 0.468396 O\n0.763377 0.982556 0.676605 O\n0.666449 0.722781 0.939863 O\n0.561738 0.130607 0.537890 O\n0.992226 0.410643 0.279652 O\n0.492226 0.589357 0.220348 O\n0.061738 0.869393 0.962110 O\n0.166449 0.277219 0.560137 O\n0.263377 0.017444 0.823395 O\n0.994686 0.076760 0.769685 O\n0.417270 0.822960 0.031604 O\n0.224078 0.691526 0.177345 O\n0.366788 0.468683 0.430982 O\n0.585070 0.099010 0.835266 O\n0.684695 0.522265 0.409932 O\n0.889335 0.791843 0.140480 O\n0.861342 0.381870 0.565830 O\n",
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"formula_full": "Ti8 S12 O48",
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"spacegroup": 14
},
{
"id": "mp-1516623",
"created_at": "2022-09-04T14:39:09.755755Z",
"structure_string": "Ba1 Sr1 Cr1 Sn1 O6\n1.0\n0.000000 -4.054295 -4.054295\n4.054295 0.000000 -4.054295\n4.054295 -4.054295 -0.000000\nBa Sr Cr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 -0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.755763 0.244237 0.244237 O\n0.244237 0.755763 0.755763 O\n0.755763 0.244237 0.755763 O\n0.244237 0.755763 0.244237 O\n0.755763 0.755763 0.244237 O\n0.244237 0.244237 0.755763 O\n",
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"formula_full": "Ba1 Sr1 Cr1 Sn1 O6",
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"formula_anonymous": "ABCDE6",
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{
"id": "mp-774384",
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"structure_string": "Fe10 O11 F9\n1.0\n15.309477 0.000000 0.000000\n0.000000 4.775961 0.000000\n0.000000 0.440926 4.755753\nFe O F\n10 11 9\ndirect\n0.307231 0.985237 0.994269 Fe\n0.102241 0.998553 0.000163 Fe\n0.897759 0.998553 0.000163 Fe\n0.692769 0.985237 0.994269 Fe\n0.500000 0.006790 0.954259 Fe\n0.199978 0.493348 0.495203 Fe\n0.800022 0.493348 0.495203 Fe\n0.000000 0.498649 0.501125 Fe\n0.605281 0.522062 0.540679 Fe\n0.394719 0.522062 0.540679 Fe\n0.599575 0.814156 0.806617 O\n0.400425 0.814156 0.806617 O\n0.295204 0.299858 0.702781 O\n0.099854 0.298124 0.696893 O\n0.900146 0.298124 0.696893 O\n0.704796 0.299858 0.702781 O\n0.500000 0.323646 0.683715 O\n0.297611 0.694830 0.306236 O\n0.099974 0.695623 0.301108 O\n0.900026 0.695623 0.301108 O\n0.702389 0.694830 0.306236 O\n0.199785 0.802859 0.809708 F\n0.000000 0.806696 0.809568 F\n0.800215 0.802859 0.809708 F\n0.500000 0.708379 0.296301 F\n0.200876 0.187236 0.191650 F\n0.799124 0.187236 0.191650 F\n0.000000 0.189031 0.190006 F\n0.402313 0.191516 0.187207 F\n0.597687 0.191516 0.187207 F\n",
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{
"id": "mp-1191859",
"created_at": "2022-09-04T14:39:09.764739Z",
"structure_string": "Sm11 In9 Ni4\n1.0\n7.504917 -11.330485 0.000000\n7.504917 11.330485 0.000000\n0.000000 0.000000 3.742571\nSm In Ni\n11 9 4\ndirect\n0.418460 0.079408 0.000000 Sm\n0.581540 0.920592 0.000000 Sm\n0.079408 0.418460 0.000000 Sm\n0.920592 0.581540 0.000000 Sm\n0.159746 0.840254 0.000000 Sm\n0.840254 0.159746 0.000000 Sm\n0.374685 0.625315 0.000000 Sm\n0.625315 0.374685 0.000000 Sm\n0.311994 0.311994 0.000000 Sm\n0.688006 0.688006 0.000000 Sm\n0.000000 0.000000 0.000000 Sm\n0.367103 0.837263 0.500000 In\n0.632897 0.162737 0.500000 In\n0.837263 0.367103 0.500000 In\n0.162737 0.632897 0.500000 In\n0.220988 0.080975 0.500000 In\n0.779012 0.919025 0.500000 In\n0.080975 0.220988 0.500000 In\n0.919025 0.779012 0.500000 In\n0.500000 0.500000 0.500000 In\n0.451505 0.245888 0.500000 Ni\n0.548495 0.754112 0.500000 Ni\n0.245888 0.451505 0.500000 Ni\n0.754112 0.548495 0.500000 Ni\n",
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{
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"created_at": "2022-09-04T14:39:10.754160Z",
"structure_string": "Sn7 Pd5\n1.0\n2.191888 6.648193 0.000000\n-2.191888 6.648193 0.000000\n0.000000 3.560982 9.055383\nSn Pd\n7 5\ndirect\n0.252990 0.240340 0.380605 Sn\n0.759660 0.747010 0.619395 Sn\n0.226508 0.228656 0.883277 Sn\n0.771344 0.773492 0.116723 Sn\n0.487793 0.497352 0.825421 Sn\n0.502648 0.512207 0.174579 Sn\n0.824517 0.175483 0.500000 Sn\n0.127445 0.131840 0.196987 Pd\n0.868160 0.872555 0.803013 Pd\n0.120221 0.111984 0.680156 Pd\n0.888016 0.879779 0.319844 Pd\n0.990898 0.009102 0.000000 Pd\n",
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{
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"structure_string": "Dy4 Ga18 Ru6\n1.0\n3.793914 -6.446143 0.000000\n3.793914 6.446143 0.000000\n0.000000 0.000000 9.727566\nDy Ga Ru\n4 18 6\ndirect\n0.324284 0.002167 0.750000 Dy\n0.675716 0.997833 0.250000 Dy\n0.002167 0.324284 0.750000 Dy\n0.997833 0.675716 0.250000 Dy\n0.866735 0.866735 0.750000 Ga\n0.133265 0.133265 0.250000 Ga\n0.662320 0.662320 0.438665 Ga\n0.337680 0.337680 0.938665 Ga\n0.662320 0.662320 0.061335 Ga\n0.337680 0.337680 0.561335 Ga\n0.444433 0.659769 0.750000 Ga\n0.555567 0.340231 0.250000 Ga\n0.659769 0.444433 0.750000 Ga\n0.340231 0.555567 0.250000 Ga\n0.009415 0.338193 0.077266 Ga\n0.990585 0.661807 0.577266 Ga\n0.338193 0.009415 0.422734 Ga\n0.661807 0.990585 0.922734 Ga\n0.990585 0.661807 0.922734 Ga\n0.009415 0.338193 0.422734 Ga\n0.661807 0.990585 0.577266 Ga\n0.338193 0.009415 0.077266 Ga\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.676320 0.323680 0.500000 Ru\n0.323680 0.676320 0.000000 Ru\n0.323680 0.676320 0.500000 Ru\n0.676320 0.323680 0.000000 Ru\n",
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{
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"structure_string": "U3 Si1\n1.0\n4.254775 0.000000 0.000000\n0.000000 4.254775 0.000000\n0.000000 0.000000 4.254775\nU Si\n3 1\ndirect\n0.500000 0.500000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Si\n",
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{
"id": "mp-766140",
"created_at": "2022-09-04T14:39:09.780519Z",
"structure_string": "K8 Li14 Mn4 O16\n1.0\n5.702699 0.000000 0.000000\n-0.001955 8.975290 0.000000\n-1.519305 -0.005684 10.821752\nK Li Mn O\n8 14 4 16\ndirect\n0.087092 0.005660 0.837067 K\n0.131559 0.756700 0.370340 K\n0.421831 0.501958 0.659762 K\n0.625646 0.747330 0.859756 K\n0.382240 0.252203 0.122656 K\n0.587216 0.500447 0.337200 K\n0.890258 0.252254 0.632964 K\n0.920007 0.003897 0.158430 K\n0.007131 0.507784 0.502096 Li\n0.096472 0.748152 0.693247 Li\n0.317715 0.482391 0.926504 Li\n0.190291 0.982832 0.572640 Li\n0.072840 0.478015 0.202257 Li\n0.414767 0.248951 0.808986 Li\n0.494751 0.989929 0.997238 Li\n0.576484 0.014635 0.696308 Li\n0.435453 0.980298 0.298286 Li\n0.597513 0.756082 0.193884 Li\n0.806599 0.012133 0.435501 Li\n0.932502 0.511385 0.804652 Li\n0.700944 0.511149 0.063724 Li\n0.912609 0.255641 0.307628 Li\n0.343667 0.209312 0.449294 Mn\n0.839437 0.279248 0.948753 Mn\n0.163513 0.707152 0.051407 Mn\n0.669142 0.781950 0.551708 Mn\n0.123878 0.318592 0.859185 O\n0.150326 0.688072 0.876936 O\n0.135981 0.055319 0.383691 O\n0.154310 0.410228 0.390986 O\n0.363941 0.188093 0.624302 O\n0.382192 0.819267 0.639685 O\n0.629948 0.455246 0.880731 O\n0.347976 0.905997 0.114140 O\n0.368281 0.550900 0.115268 O\n0.637596 0.083413 0.884426 O\n0.603038 0.182918 0.357384 O\n0.641676 0.818188 0.364405 O\n0.867337 0.587776 0.621870 O\n0.876283 0.959381 0.618672 O\n0.868236 0.317487 0.136323 O\n0.901314 0.681845 0.141730 O\n",
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{
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}