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{
"id": "mp-1218823",
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"spacegroup": 2
},
{
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"structure_string": "Fe2 O6\n1.0\n1.428492 7.734757 0.000000\n-1.428492 7.734757 0.000000\n0.000000 2.148451 5.563319\nFe O\n2 6\ndirect\n0.187499 0.187499 0.718297 Fe\n0.812501 0.812501 0.281703 Fe\n0.678740 0.678740 0.923331 O\n0.325205 0.325205 0.485045 O\n0.321260 0.321260 0.076669 O\n0.981652 0.981652 0.110577 O\n0.018348 0.018348 0.889423 O\n0.674795 0.674795 0.514955 O\n",
"nsites": 8,
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"elements": [
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"volume": 122.93865159799667,
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"formula_full": "Fe2 O6",
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{
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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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"elements": [
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"density": 2.905483614890797,
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"formula_full": "Sb24 I8 O32",
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{
"id": "mp-1208953",
"created_at": "2022-09-04T14:46:33.177900Z",
"structure_string": "Sm4 Al18 Co6\n1.0\n3.762250 -6.383635 0.000000\n3.762250 6.383635 0.000000\n0.000000 0.000000 9.399980\nSm Al Co\n4 18 6\ndirect\n0.993596 0.670896 0.250000 Sm\n0.006404 0.329104 0.750000 Sm\n0.670896 0.993596 0.250000 Sm\n0.329104 0.006404 0.750000 Sm\n0.126539 0.126539 0.250000 Al\n0.873461 0.873461 0.750000 Al\n0.000094 0.335213 0.069561 Al\n0.999906 0.664787 0.930439 Al\n0.999906 0.664787 0.569561 Al\n0.335213 0.000094 0.430439 Al\n0.000094 0.335213 0.430439 Al\n0.664787 0.999906 0.569561 Al\n0.664787 0.999906 0.930439 Al\n0.335213 0.000094 0.069561 Al\n0.332750 0.332750 0.541006 Al\n0.667250 0.667250 0.458994 Al\n0.667250 0.667250 0.041006 Al\n0.332750 0.332750 0.958994 Al\n0.338121 0.550818 0.250000 Al\n0.661879 0.449182 0.750000 Al\n0.550818 0.338121 0.250000 Al\n0.449182 0.661879 0.750000 Al\n0.670470 0.329530 0.000000 Co\n0.329530 0.670470 0.000000 Co\n0.329530 0.670470 0.500000 Co\n0.670470 0.329530 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
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{
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"created_at": "2022-09-04T14:46:35.956472Z",
"structure_string": "Ba2 Ca1 Nb1 O6\n1.0\n0.000000 4.309722 4.309722\n4.309722 0.000000 4.309722\n4.309722 4.309722 0.000000\nBa Ca Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Nb\n0.766287 0.233713 0.233713 O\n0.233713 0.766287 0.766287 O\n0.233713 0.766287 0.233713 O\n0.766287 0.233713 0.766287 O\n0.233713 0.233713 0.766287 O\n0.766287 0.766287 0.233713 O\n",
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{
"id": "mp-1238408",
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"structure_string": "Ba2 Al4 H20 C4 O26\n1.0\n5.514840 0.000000 0.000000\n-1.528441 11.708816 0.000000\n-0.753308 -5.117312 11.170276\nBa Al H C O\n2 4 20 4 26\ndirect\n0.210050 0.352873 0.204080 Ba\n0.789950 0.647127 0.795920 Ba\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.768477 0.954030 0.412110 H\n0.231523 0.045970 0.587890 H\n0.792331 0.549659 0.110133 H\n0.207669 0.450341 0.889867 H\n0.449664 0.090396 0.438735 H\n0.550336 0.909604 0.561265 H\n0.697968 0.270221 0.848709 H\n0.302032 0.729779 0.151291 H\n0.786005 0.103986 0.258030 H\n0.213995 0.896014 0.741970 H\n0.110423 0.838723 0.308855 H\n0.889577 0.161277 0.691145 H\n0.239392 0.394367 0.608839 H\n0.760608 0.605633 0.391161 H\n0.397049 0.173540 0.650691 H\n0.602951 0.826460 0.349309 H\n0.400018 0.021482 0.412590 H\n0.599982 0.978518 0.587410 H\n0.158873 0.774949 0.390714 H\n0.841127 0.225051 0.609286 H\n0.648107 0.266831 0.001960 C\n0.351893 0.733169 0.998040 C\n0.674240 0.256367 0.351183 C\n0.325760 0.743633 0.648817 C\n0.261230 0.528466 0.102021 O\n0.738770 0.471534 0.897979 O\n0.479375 0.335797 0.010816 O\n0.520625 0.664203 0.989184 O\n0.720054 0.234182 0.081806 O\n0.279946 0.765818 0.918194 O\n0.898803 0.309402 0.384804 O\n0.101197 0.690598 0.615196 O\n0.483288 0.306311 0.378595 O\n0.516712 0.693689 0.621405 O\n0.627927 0.132136 0.275994 O\n0.372073 0.867864 0.724006 O\n0.757780 0.230615 0.900342 O\n0.242220 0.769385 0.099658 O\n0.758197 0.489197 0.589368 O\n0.241803 0.510803 0.410632 O\n0.138656 0.099733 0.909340 O\n0.861344 0.900267 0.090660 O\n0.743607 0.530186 0.405219 O\n0.256393 0.469814 0.594781 O\n0.999492 0.002580 0.131880 O\n0.000508 0.997420 0.868120 O\n0.225076 0.132704 0.641081 O\n0.774924 0.867296 0.358919 O\n0.244734 0.810053 0.341531 O\n0.755266 0.189947 0.658469 O\n",
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{
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"structure_string": "Sr3 La1 Ti2 Mn2 O12\n1.0\n9.187681 -2.778229 0.000000\n9.187681 2.778229 0.000000\n8.347583 0.000000 4.738133\nSr La Ti Mn O\n3 1 2 2 12\ndirect\n0.249353 0.249353 0.249353 Sr\n0.000000 0.000000 0.000000 Sr\n0.750647 0.750647 0.750647 Sr\n0.500000 0.500000 0.500000 La\n0.624695 0.624695 0.624695 Ti\n0.375305 0.375305 0.375305 Ti\n0.125148 0.125148 0.125148 Mn\n0.874852 0.874852 0.874852 Mn\n0.000000 0.500000 0.000000 O\n0.745639 0.254381 0.745639 O\n0.500000 0.000000 0.500000 O\n0.254361 0.745619 0.254361 O\n0.254361 0.254361 0.745619 O\n0.000000 0.000000 0.500000 O\n0.745639 0.745639 0.254381 O\n0.500000 0.500000 0.000000 O\n0.745619 0.254361 0.254361 O\n0.500000 0.000000 0.000000 O\n0.254381 0.745639 0.745639 O\n0.000000 0.500000 0.500000 O\n",
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{
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