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{
"id": "mp-1173640",
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"structure_string": "Sb24 I8 O32\n1.0\n14.556051 0.000000 0.000000\n0.000000 11.469379 0.000000\n0.000000 5.555438 15.231903\nSb I O\n24 8 32\ndirect\n0.097494 0.569030 0.417085 Sb\n0.057528 0.961404 0.102078 Sb\n0.081379 0.763129 0.511056 Sb\n0.111197 0.244402 0.000462 Sb\n0.184679 0.662924 0.720911 Sb\n0.137142 0.350018 0.772554 Sb\n0.362858 0.850018 0.772554 Sb\n0.315321 0.162924 0.720911 Sb\n0.388803 0.744402 0.000462 Sb\n0.418621 0.263129 0.511056 Sb\n0.442472 0.461404 0.102078 Sb\n0.402506 0.069030 0.417085 Sb\n0.597494 0.930970 0.582915 Sb\n0.557528 0.538596 0.897922 Sb\n0.581379 0.736871 0.488944 Sb\n0.611197 0.255598 0.999538 Sb\n0.684679 0.837076 0.279089 Sb\n0.637142 0.149982 0.227446 Sb\n0.862858 0.649982 0.227446 Sb\n0.815321 0.337076 0.279089 Sb\n0.888803 0.755598 0.999538 Sb\n0.918621 0.236871 0.488944 Sb\n0.942472 0.038596 0.897922 Sb\n0.902506 0.430970 0.582915 Sb\n0.192398 0.784838 0.099377 I\n0.291919 0.514565 0.452089 I\n0.208081 0.014565 0.452089 I\n0.307602 0.284838 0.099377 I\n0.692398 0.715162 0.900623 I\n0.791919 0.985435 0.547911 I\n0.708081 0.485435 0.547911 I\n0.807602 0.215162 0.900623 I\n0.044574 0.579239 0.528906 O\n0.018005 0.110484 0.990631 O\n0.340898 0.591085 0.088027 O\n0.372449 0.246979 0.399516 O\n0.319537 0.752176 0.893186 O\n0.315187 0.197533 0.592870 O\n0.305927 0.741029 0.716832 O\n0.271926 0.987433 0.751521 O\n0.228074 0.487433 0.751521 O\n0.194073 0.241029 0.716832 O\n0.184813 0.697533 0.592870 O\n0.180463 0.252176 0.893186 O\n0.127551 0.746979 0.399516 O\n0.159102 0.091085 0.088027 O\n0.481995 0.610484 0.990631 O\n0.455426 0.079239 0.528906 O\n0.544574 0.920761 0.471094 O\n0.518005 0.389516 0.009369 O\n0.840898 0.908915 0.911973 O\n0.872449 0.253021 0.600484 O\n0.819537 0.747824 0.106814 O\n0.815187 0.302467 0.407130 O\n0.805927 0.758971 0.283168 O\n0.771926 0.512567 0.248479 O\n0.728074 0.012567 0.248479 O\n0.694073 0.258971 0.283168 O\n0.684813 0.802467 0.407130 O\n0.680463 0.247824 0.106814 O\n0.627551 0.753021 0.600484 O\n0.659102 0.408915 0.911973 O\n0.981995 0.889516 0.009369 O\n0.955426 0.420761 0.471094 O\n",
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"formula_full": "Sb24 I8 O32",
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"updated_at": "2021-11-28T01:37:32.983000Z",
"spacegroup": 14
},
{
"id": "mp-1219351",
"created_at": "2022-09-04T14:39:26.461602Z",
"structure_string": "Sm4 Fe31 Co3 C6\n1.0\n6.501293 0.000000 0.000000\n0.733795 6.490796 0.000000\n1.456864 1.296774 12.898491\nSm Fe Co C\n4 31 3 6\ndirect\n0.655226 0.655065 0.328090 Sm\n0.654954 0.655151 0.827602 Sm\n0.346809 0.345115 0.173229 Sm\n0.345813 0.344595 0.671819 Sm\n0.904160 0.903161 0.452215 Fe\n0.904889 0.903359 0.951996 Fe\n0.094258 0.095671 0.047552 Fe\n0.094360 0.095136 0.547092 Fe\n0.000013 0.001386 0.249900 Fe\n0.999679 0.000841 0.749890 Fe\n0.000055 0.499852 0.500051 Fe\n0.999472 0.499802 0.000314 Fe\n0.499178 0.000283 0.000126 Fe\n0.499553 0.000691 0.500174 Fe\n0.282178 0.717896 0.499315 Fe\n0.282849 0.716399 0.000007 Fe\n0.716046 0.999324 0.142090 Fe\n0.716604 0.999356 0.641703 Fe\n0.000652 0.282667 0.358428 Fe\n0.999633 0.283052 0.858485 Fe\n0.283405 0.000221 0.358093 Fe\n0.283858 0.000334 0.857540 Fe\n0.998665 0.717606 0.141868 Fe\n0.997938 0.718422 0.641588 Fe\n0.716315 0.283053 0.000367 Fe\n0.717442 0.282623 0.500445 Fe\n0.342355 0.342023 0.928428 Fe\n0.341990 0.856548 0.170816 Fe\n0.341984 0.856929 0.670417 Fe\n0.142289 0.657121 0.327970 Fe\n0.142456 0.656487 0.827995 Fe\n0.657454 0.658675 0.071705 Fe\n0.655987 0.657233 0.571227 Fe\n0.658038 0.142983 0.329433 Fe\n0.657597 0.142780 0.829411 Fe\n0.860884 0.343592 0.171864 Co\n0.862960 0.343128 0.671318 Co\n0.343724 0.343426 0.430825 Co\n0.499724 0.499305 0.000232 C\n0.499202 0.499476 0.499981 C\n0.499366 0.000489 0.249846 C\n0.499870 0.000275 0.749525 C\n0.000187 0.498949 0.249529 C\n0.999929 0.499522 0.749502 C\n",
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"formula_full": "Sm4 Fe31 Co3 C6",
"formula_reduced": "Sm4Fe31(CoC2)3",
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{
"id": "mp-1205073",
"created_at": "2022-09-04T14:41:32.255697Z",
"structure_string": "Ce4 H12 C4 S4 O28\n1.0\n7.067268 0.000000 0.000000\n0.000000 7.067268 0.000000\n0.000000 0.000000 12.039620\nCe H C S O\n4 12 4 4 28\ndirect\n0.865588 0.607464 0.723894 Ce\n0.134412 0.392536 0.223894 Ce\n0.607464 0.134412 0.473894 Ce\n0.392536 0.865588 0.973894 Ce\n0.349544 0.523829 0.681390 H\n0.650456 0.476171 0.181390 H\n0.523829 0.650456 0.431390 H\n0.476171 0.349544 0.931390 H\n0.045470 0.885132 0.551783 H\n0.954530 0.114868 0.051783 H\n0.885132 0.954530 0.301783 H\n0.114868 0.045470 0.801783 H\n0.086851 0.685270 0.500829 H\n0.913149 0.314730 0.000829 H\n0.685270 0.913149 0.250829 H\n0.314730 0.086851 0.750829 H\n0.355704 0.606112 0.759152 C\n0.644296 0.393888 0.259152 C\n0.606112 0.644296 0.509152 C\n0.393888 0.355704 0.009152 C\n0.741236 0.110826 0.778258 S\n0.258764 0.889174 0.278258 S\n0.110826 0.258764 0.528258 S\n0.889174 0.741236 0.028258 S\n0.885679 0.960460 0.754302 O\n0.114321 0.039540 0.254302 O\n0.960460 0.114321 0.504302 O\n0.039540 0.885679 0.004302 O\n0.619946 0.047210 0.871014 O\n0.380054 0.952790 0.371014 O\n0.047210 0.380054 0.621014 O\n0.952790 0.619946 0.121014 O\n0.623486 0.147076 0.678499 O\n0.376514 0.852924 0.178499 O\n0.147076 0.376514 0.428499 O\n0.852924 0.623486 0.928499 O\n0.838305 0.287926 0.812651 O\n0.161695 0.712074 0.312651 O\n0.287926 0.161695 0.562651 O\n0.712074 0.838305 0.062651 O\n0.201659 0.647995 0.808067 O\n0.798341 0.352005 0.308067 O\n0.647995 0.798341 0.558067 O\n0.352005 0.201659 0.058067 O\n0.516490 0.654652 0.798005 O\n0.483510 0.345348 0.298005 O\n0.654652 0.483510 0.548005 O\n0.345348 0.516490 0.048005 O\n0.066635 0.751165 0.571355 O\n0.933365 0.248835 0.071355 O\n0.751165 0.933365 0.321355 O\n0.248835 0.066635 0.821355 O\n",
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"volume": 601.3341952999872,
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"formula_full": "Ce4 H12 C4 S4 O28",
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"spacegroup": 76
},
{
"id": "mp-8810",
"created_at": "2022-09-04T14:47:36.743250Z",
"structure_string": "Sr4 Zn8 P8 O32\n1.0\n9.647127 0.000000 0.000000\n0.000000 8.447524 0.000000\n0.000000 0.335607 9.136094\nSr Zn P O\n4 8 8 32\ndirect\n0.581579 0.246650 0.889930 Sr\n0.081579 0.753350 0.610070 Sr\n0.418421 0.753350 0.110070 Sr\n0.918421 0.246650 0.389930 Sr\n0.818924 0.919330 0.050339 Zn\n0.318924 0.080670 0.449661 Zn\n0.181076 0.080670 0.949661 Zn\n0.681076 0.919330 0.550339 Zn\n0.072785 0.575185 0.210542 Zn\n0.572785 0.424815 0.289458 Zn\n0.927215 0.424815 0.789458 Zn\n0.427215 0.575185 0.710542 Zn\n0.584810 0.057637 0.249975 P\n0.084810 0.942363 0.250025 P\n0.415190 0.942363 0.750025 P\n0.915190 0.057637 0.749975 P\n0.793995 0.544338 0.069127 P\n0.293995 0.455662 0.430873 P\n0.206005 0.455662 0.930873 P\n0.706005 0.544338 0.569127 P\n0.872850 0.948666 0.623123 O\n0.372850 0.051334 0.876877 O\n0.127150 0.051334 0.376877 O\n0.627150 0.948666 0.123123 O\n0.643583 0.701087 0.507591 O\n0.143583 0.298913 0.992409 O\n0.356417 0.298913 0.492409 O\n0.856417 0.701087 0.007591 O\n0.642322 0.566304 0.123205 O\n0.142322 0.433696 0.376795 O\n0.357678 0.433696 0.876795 O\n0.857678 0.566304 0.623205 O\n0.804655 0.064086 0.872678 O\n0.304655 0.935914 0.627322 O\n0.195345 0.935914 0.127322 O\n0.695345 0.064086 0.372678 O\n0.947900 0.015783 0.189513 O\n0.447900 0.984217 0.310487 O\n0.052100 0.984217 0.810487 O\n0.552100 0.015783 0.689513 O\n0.611687 0.477027 0.696183 O\n0.111687 0.522973 0.803817 O\n0.388313 0.522973 0.303817 O\n0.888313 0.477027 0.196183 O\n0.791921 0.419135 0.947842 O\n0.291921 0.580865 0.552158 O\n0.208079 0.580865 0.052158 O\n0.708079 0.419135 0.447842 O\n0.934674 0.226786 0.679338 O\n0.434674 0.773214 0.820662 O\n0.065326 0.773214 0.320662 O\n0.565326 0.226786 0.179338 O\n",
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],
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"formula_full": "Sr4 Zn8 P8 O32",
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{
"id": "mp-758180",
"created_at": "2022-09-04T14:43:51.010085Z",
"structure_string": "Cs4 Si12 H4 O28\n1.0\n4.993215 0.000000 0.000000\n0.000000 10.548351 0.000000\n0.000000 0.000000 14.398657\nCs Si H O\n4 12 4 28\ndirect\n0.030627 0.081235 0.749865 Cs\n0.469373 0.918765 0.249865 Cs\n0.530627 0.418765 0.250135 Cs\n0.969373 0.581235 0.750135 Cs\n0.021156 0.916094 0.007790 Si\n0.025830 0.651304 0.107658 Si\n0.102953 0.203843 0.055845 Si\n0.397047 0.796157 0.555845 Si\n0.474170 0.348696 0.607658 Si\n0.478844 0.083906 0.507790 Si\n0.521156 0.583906 0.992210 Si\n0.525830 0.848696 0.892342 Si\n0.602953 0.296157 0.944155 Si\n0.897047 0.703843 0.444155 Si\n0.974170 0.151304 0.392342 Si\n0.978844 0.416094 0.492210 Si\n0.026820 0.695698 0.286822 H\n0.473180 0.304302 0.786822 H\n0.526820 0.804302 0.713178 H\n0.973180 0.195698 0.213178 H\n0.025867 0.259460 0.156927 O\n0.054352 0.805748 0.086479 O\n0.093163 0.750317 0.528819 O\n0.098710 0.619674 0.212258 O\n0.100722 0.047650 0.059555 O\n0.213780 0.889162 0.918148 O\n0.213880 0.576717 0.030030 O\n0.286120 0.423283 0.530030 O\n0.286220 0.110838 0.418148 O\n0.399278 0.952350 0.559555 O\n0.401290 0.380326 0.712258 O\n0.406837 0.249683 0.028819 O\n0.445648 0.194252 0.586479 O\n0.474133 0.740540 0.656927 O\n0.525867 0.240540 0.843073 O\n0.554352 0.694252 0.913521 O\n0.593163 0.749683 0.471181 O\n0.598710 0.880326 0.787742 O\n0.600722 0.452350 0.940445 O\n0.713780 0.610838 0.081852 O\n0.713880 0.923283 0.969970 O\n0.786120 0.076717 0.469970 O\n0.786220 0.389162 0.581852 O\n0.899278 0.547650 0.440445 O\n0.901290 0.119674 0.287742 O\n0.906837 0.250317 0.971181 O\n0.945648 0.305748 0.413521 O\n0.974133 0.759460 0.343073 O\n",
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"formula_full": "Cs4 Si12 H4 O28",
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},
{
"id": "mp-766595",
"created_at": "2022-09-04T14:39:28.409290Z",
"structure_string": "Li12 Ni4 P4 C4 O28\n1.0\n6.301261 0.000000 0.000000\n0.000000 8.606771 0.000000\n0.000000 0.996447 9.636699\nLi Ni P C O\n12 4 4 4 28\ndirect\n0.757925 0.891523 0.361083 Li\n0.742075 0.891523 0.861083 Li\n0.498309 0.721282 0.628361 Li\n0.001691 0.721282 0.128361 Li\n0.252345 0.644178 0.362885 Li\n0.247655 0.644178 0.862885 Li\n0.747655 0.355822 0.637115 Li\n0.752345 0.355822 0.137115 Li\n0.501691 0.278718 0.371639 Li\n0.998309 0.278718 0.871639 Li\n0.242075 0.108477 0.638917 Li\n0.257925 0.108477 0.138917 Li\n0.996390 0.730220 0.622286 Ni\n0.503610 0.730220 0.122286 Ni\n0.003610 0.269780 0.377714 Ni\n0.496390 0.269780 0.877714 Ni\n0.760919 0.592915 0.388495 P\n0.739081 0.592915 0.888495 P\n0.239081 0.407085 0.611505 P\n0.260919 0.407085 0.111505 P\n0.240881 0.959120 0.400887 C\n0.259119 0.959120 0.900887 C\n0.759119 0.040880 0.599113 C\n0.740881 0.040880 0.099113 C\n0.259304 0.935336 0.274291 O\n0.773677 0.896950 0.563299 O\n0.240696 0.935336 0.774291 O\n0.242076 0.844515 0.499129 O\n0.726323 0.896950 0.063299 O\n0.257924 0.844515 0.999129 O\n0.949105 0.692367 0.329915 O\n0.560303 0.683722 0.331621 O\n0.939697 0.683722 0.831621 O\n0.550895 0.692367 0.829915 O\n0.240616 0.576104 0.651911 O\n0.762236 0.586220 0.550519 O\n0.259384 0.576104 0.151911 O\n0.737764 0.586220 0.050519 O\n0.237764 0.413780 0.449481 O\n0.759384 0.423896 0.348089 O\n0.262236 0.413780 0.949481 O\n0.740616 0.423896 0.848089 O\n0.050895 0.307633 0.670085 O\n0.439697 0.316278 0.668379 O\n0.449105 0.307633 0.170085 O\n0.060303 0.316278 0.168379 O\n0.757924 0.155485 0.500871 O\n0.226323 0.103050 0.436701 O\n0.742076 0.155485 0.000871 O\n0.740696 0.064664 0.725709 O\n0.273677 0.103050 0.936701 O\n0.759304 0.064664 0.225709 O\n",
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"formula_full": "Li12 Ni4 P4 C4 O28",
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