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{
"id": "mp-1200241",
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{
"id": "mp-705910",
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"structure_string": "Li15 Ni14 O28\n1.0\n1.468510 4.993436 0.000000\n-1.468510 4.993436 0.000000\n0.000000 2.840886 34.046283\nLi Ni O\n15 14 28\ndirect\n0.086890 0.086890 0.962198 Li\n0.049181 0.049181 0.900136 Li\n0.163304 0.163304 0.843565 Li\n0.717725 0.717725 0.781253 Li\n0.857205 0.857205 0.642647 Li\n0.286165 0.286165 0.712903 Li\n0.000165 0.000165 0.499698 Li\n0.428543 0.428543 0.571426 Li\n0.142718 0.142718 0.357478 Li\n0.571586 0.571586 0.428395 Li\n0.713952 0.713952 0.286211 Li\n0.284703 0.284703 0.215400 Li\n0.854349 0.854349 0.146326 Li\n0.521540 0.521540 0.022060 Li\n0.410644 0.410644 0.081342 Li\n0.310012 0.310012 0.965832 Ni\n0.834909 0.834909 0.891185 Ni\n0.425782 0.425782 0.818391 Ni\n0.000107 0.000107 0.747927 Ni\n0.571804 0.571804 0.677879 Ni\n0.143265 0.143265 0.607041 Ni\n0.714556 0.714556 0.535681 Ni\n0.285668 0.285668 0.464252 Ni\n0.857120 0.857120 0.392923 Ni\n0.428466 0.428466 0.321679 Ni\n0.999449 0.999449 0.250603 Ni\n0.569947 0.569947 0.179870 Ni\n0.140416 0.140416 0.109158 Ni\n0.729607 0.729607 0.039140 Ni\n0.673371 0.673371 0.987270 O\n0.219765 0.219765 0.912246 O\n0.922485 0.922485 0.943926 O\n0.791622 0.791622 0.834603 O\n0.481884 0.481884 0.869700 O\n0.369453 0.369453 0.766744 O\n0.058611 0.058611 0.798627 O\n0.940485 0.940485 0.697339 O\n0.632820 0.632820 0.728610 O\n0.511678 0.511678 0.626837 O\n0.203101 0.203101 0.658105 O\n0.083192 0.083192 0.555804 O\n0.774527 0.774527 0.587248 O\n0.654412 0.654412 0.484063 O\n0.345805 0.345805 0.515647 O\n0.225793 0.225793 0.412769 O\n0.916991 0.916991 0.444432 O\n0.797135 0.797135 0.341412 O\n0.488580 0.488580 0.373115 O\n0.368398 0.368398 0.270264 O\n0.059974 0.059974 0.301836 O\n0.938456 0.938456 0.199532 O\n0.630902 0.630902 0.230904 O\n0.508950 0.508950 0.128797 O\n0.200794 0.200794 0.160525 O\n0.086772 0.086772 0.056572 O\n0.774441 0.774441 0.091598 O\n0.346971 0.346971 0.024229 O\n",
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],
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{
"id": "mp-24281",
"created_at": "2022-09-04T14:39:59.731963Z",
"structure_string": "In1 H36 C12 S6 I3 O6\n1.0\n8.201381 -5.737786 0.000000\n8.201381 5.737786 0.000000\n4.187156 0.000000 9.091346\nIn H C S I O\n1 36 12 6 3 6\ndirect\n0.000000 0.000000 0.000000 In\n0.236077 0.527123 0.754513 H\n0.754513 0.236077 0.527123 H\n0.527123 0.754513 0.236077 H\n0.763923 0.472877 0.245487 H\n0.245487 0.763923 0.472877 H\n0.472877 0.245487 0.763923 H\n0.153580 0.483693 0.951597 H\n0.951597 0.153580 0.483693 H\n0.483693 0.951597 0.153580 H\n0.846420 0.516307 0.048403 H\n0.048403 0.846420 0.516307 H\n0.516307 0.048403 0.846420 H\n0.042201 0.606136 0.823605 H\n0.823605 0.042201 0.606136 H\n0.606136 0.823605 0.042201 H\n0.992358 0.656903 0.455136 H\n0.957799 0.393864 0.176395 H\n0.393864 0.176395 0.957799 H\n0.343097 0.544864 0.007642 H\n0.007642 0.343097 0.544864 H\n0.544864 0.007642 0.343097 H\n0.656903 0.455136 0.992358 H\n0.283447 0.077162 0.600244 H\n0.077162 0.600244 0.283447 H\n0.600244 0.283447 0.077162 H\n0.716553 0.922838 0.399756 H\n0.922838 0.399756 0.716553 H\n0.399756 0.716553 0.922838 H\n0.410757 0.184878 0.556466 H\n0.184878 0.556466 0.410757 H\n0.556466 0.410757 0.184878 H\n0.589243 0.815122 0.443534 H\n0.815122 0.443534 0.589243 H\n0.443534 0.589243 0.815122 H\n0.455136 0.992358 0.656903 H\n0.176395 0.957799 0.393864 H\n0.362958 0.633116 0.906806 C\n0.906806 0.362958 0.633116 C\n0.633116 0.906806 0.362958 C\n0.637042 0.366884 0.093194 C\n0.432494 0.153458 0.848874 C\n0.153458 0.848874 0.432494 C\n0.848874 0.432494 0.153458 C\n0.567506 0.846542 0.151126 C\n0.366884 0.093194 0.637042 C\n0.151126 0.567506 0.846542 C\n0.093194 0.637042 0.366884 C\n0.846542 0.151126 0.567506 C\n0.195087 0.723919 0.851532 S\n0.851532 0.195087 0.723919 S\n0.723919 0.851532 0.195087 S\n0.804913 0.276081 0.148468 S\n0.148468 0.804913 0.276081 S\n0.276081 0.148468 0.804913 S\n0.500000 0.500000 0.500000 I\n0.246858 0.246858 0.246858 I\n0.753142 0.753142 0.753142 I\n0.081161 0.769547 0.990501 O\n0.990501 0.081161 0.769547 O\n0.230453 0.009499 0.918839 O\n0.918839 0.230453 0.009499 O\n0.009499 0.918839 0.230453 O\n0.769547 0.990501 0.081161 O\n",
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"formula_full": "In1 H36 C12 S6 I3 O6",
"formula_reduced": "InH36C12S6(IO2)3",
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},
{
"id": "mp-1041737",
"created_at": "2022-09-04T14:39:59.735747Z",
"structure_string": "Zn2 Bi1 W1 O6\n1.0\n5.491815 0.000000 0.000000\n-2.173876 -5.088265 0.000000\n-1.478334 0.497214 -5.451482\nZn Bi W O\n2 1 1 6\ndirect\n0.621869 0.374236 0.878662 Zn\n0.686505 0.851936 0.461955 Zn\n0.024394 0.488459 0.490038 Bi\n0.021685 0.015032 0.993466 W\n0.956871 0.663333 0.118918 O\n0.788734 0.165222 0.748327 O\n0.369552 0.269304 0.097533 O\n0.816411 0.071386 0.218327 O\n0.048034 0.857761 0.689364 O\n0.456860 0.560539 0.607341 O\n",
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{
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"structure_string": "Sr2 Ca2 Gd2 Bi2 O12\n1.0\n4.204269 -4.233097 0.000000\n4.204269 4.233097 0.000000\n0.000000 0.000000 8.658334\nSr Ca Gd Bi O\n2 2 2 2 12\ndirect\n0.500000 0.500000 0.250000 Sr\n0.500000 0.500000 0.750000 Sr\n-0.000000 -0.000000 0.250000 Ca\n-0.000000 -0.000000 0.750000 Ca\n-0.000000 0.500000 0.500000 Gd\n0.500000 -0.000000 -0.000000 Gd\n-0.000000 0.500000 -0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n-0.000000 0.500000 0.244148 O\n0.500000 -0.000000 0.255852 O\n-0.000000 0.500000 0.755852 O\n0.500000 -0.000000 0.744148 O\n0.317116 0.665430 0.000000 O\n0.682884 0.334570 -0.000000 O\n0.839799 0.820843 0.000000 O\n0.160201 0.179157 -0.000000 O\n0.820843 0.839799 0.500000 O\n0.179157 0.160201 0.500000 O\n0.334570 0.682884 0.500000 O\n0.665430 0.317116 0.500000 O\n",
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{
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{
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"structure_string": "K6 Ca6 V12 F54\n1.0\n3.810447 -6.536144 0.000000\n3.810447 6.536144 0.000000\n0.000000 0.000000 23.896801\nK Ca V F\n6 6 12 54\ndirect\n0.488900 0.511100 0.750000 K\n0.511100 0.488900 0.250000 K\n0.537696 0.494834 0.583862 K\n0.462304 0.505166 0.083862 K\n0.505166 0.462304 0.916138 K\n0.494834 0.537696 0.416138 K\n0.016789 0.016789 0.500000 Ca\n0.983211 0.983211 0.000000 Ca\n0.000485 0.485092 0.833190 Ca\n0.999515 0.514908 0.333190 Ca\n0.514908 0.999515 0.666810 Ca\n0.485092 0.000485 0.166810 Ca\n0.019049 0.518297 0.501934 V\n0.980951 0.481703 0.001934 V\n0.481703 0.980951 0.998066 V\n0.518297 0.019049 0.498066 V\n0.012905 0.497702 0.664935 V\n0.987095 0.502298 0.164935 V\n0.502298 0.987095 0.835065 V\n0.497702 0.012905 0.335065 V\n0.987291 0.002309 0.168508 V\n0.012709 0.997691 0.668508 V\n0.997691 0.012709 0.331492 V\n0.002309 0.987291 0.831492 V\n0.175381 0.378922 0.516201 F\n0.824619 0.621078 0.016201 F\n0.621078 0.824619 0.983799 F\n0.378922 0.175381 0.483799 F\n0.720978 0.364146 0.680120 F\n0.279022 0.635854 0.180120 F\n0.635854 0.279022 0.819880 F\n0.364146 0.720978 0.319880 F\n0.964466 0.224343 0.648646 F\n0.035534 0.775657 0.148646 F\n0.775657 0.035534 0.851354 F\n0.224343 0.964466 0.351354 F\n0.075593 0.476194 0.743390 F\n0.924407 0.523806 0.243390 F\n0.523806 0.924407 0.756610 F\n0.476194 0.075593 0.256610 F\n0.041625 0.970742 0.589546 F\n0.958375 0.029258 0.089546 F\n0.029258 0.958375 0.910454 F\n0.970742 0.041625 0.410454 F\n0.247093 0.791813 0.517156 F\n0.752907 0.208187 0.017156 F\n0.208187 0.752907 0.982844 F\n0.791813 0.247093 0.482844 F\n0.974691 0.025309 0.750000 F\n0.025309 0.974691 0.250000 F\n0.905989 0.459125 0.923055 F\n0.094011 0.540875 0.423055 F\n0.540875 0.094011 0.576945 F\n0.459125 0.905989 0.076945 F\n0.170941 0.282614 0.837310 F\n0.829059 0.717386 0.337310 F\n0.717386 0.829059 0.662690 F\n0.282614 0.170941 0.162690 F\n0.141737 0.347516 0.988531 F\n0.858263 0.652484 0.488531 F\n0.652484 0.858263 0.511469 F\n0.347516 0.141737 0.011469 F\n0.835899 0.692411 0.823795 F\n0.164101 0.307589 0.323795 F\n0.307589 0.164101 0.676205 F\n0.692411 0.835899 0.176205 F\n0.058096 0.767767 0.685253 F\n0.941904 0.232233 0.185253 F\n0.232233 0.941904 0.814747 F\n0.767767 0.058096 0.314747 F\n0.305515 0.637386 0.648358 F\n0.694485 0.362614 0.148358 F\n0.362614 0.694485 0.851642 F\n0.637386 0.305515 0.351642 F\n0.943877 0.506283 0.583309 F\n0.056123 0.493717 0.083309 F\n0.493717 0.056123 0.916691 F\n0.506283 0.943877 0.416691 F\n",
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},
{
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},
{
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"structure_string": "Ce1 Nd1 Zn2\n1.0\n0.000000 3.843639 3.843639\n3.843639 0.000000 3.843639\n3.843639 3.843639 0.000000\nCe Nd Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
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"structure_string": "Al4 Pb12 O4 F36\n1.0\n5.754458 0.000000 0.000000\n0.000000 5.870689 0.000000\n0.000000 4.997563 26.336000\nAl Pb O F\n4 12 4 36\ndirect\n0.801249 0.337529 0.403039 Al\n0.698751 0.337529 0.903039 Al\n0.198751 0.662471 0.596961 Al\n0.301249 0.662471 0.096961 Al\n0.286195 0.843189 0.425211 Pb\n0.213805 0.843189 0.925211 Pb\n0.713805 0.156811 0.574789 Pb\n0.786195 0.156811 0.074789 Pb\n0.301605 0.469780 0.309066 Pb\n0.198395 0.469780 0.809066 Pb\n0.698395 0.530220 0.690934 Pb\n0.801605 0.530220 0.190934 Pb\n0.829739 0.934984 0.305420 Pb\n0.670261 0.934984 0.805420 Pb\n0.170261 0.065016 0.694580 Pb\n0.329739 0.065016 0.194580 Pb\n0.416797 0.432816 0.501106 O\n0.083203 0.432816 0.001106 O\n0.583203 0.567184 0.498894 O\n0.916797 0.567184 0.998894 O\n0.635879 0.099891 0.379959 F\n0.864121 0.099891 0.879959 F\n0.364121 0.900109 0.620041 F\n0.135879 0.900109 0.120041 F\n0.855242 0.472853 0.333715 F\n0.644758 0.472853 0.833715 F\n0.144758 0.527147 0.666285 F\n0.355242 0.527147 0.166285 F\n0.768093 0.189986 0.466534 F\n0.731907 0.189986 0.966534 F\n0.231907 0.810014 0.533466 F\n0.268093 0.810014 0.033466 F\n0.962887 0.583120 0.419833 F\n0.537113 0.583120 0.919833 F\n0.037113 0.416880 0.580167 F\n0.462887 0.416880 0.080167 F\n0.529238 0.505702 0.396497 F\n0.970762 0.505702 0.896497 F\n0.470762 0.494298 0.603503 F\n0.029238 0.494298 0.103503 F\n0.077235 0.183476 0.394106 F\n0.422765 0.183476 0.894106 F\n0.922765 0.816524 0.605894 F\n0.577235 0.816524 0.105894 F\n0.069681 0.750054 0.245056 F\n0.430319 0.750054 0.745056 F\n0.930319 0.249946 0.754944 F\n0.569681 0.249946 0.254944 F\n0.061956 0.244101 0.249734 F\n0.438044 0.244101 0.749734 F\n0.938044 0.755899 0.750266 F\n0.561956 0.755899 0.250266 F\n0.248280 0.849266 0.336598 F\n0.251720 0.849266 0.836598 F\n0.751720 0.150734 0.663402 F\n0.748280 0.150734 0.163402 F\n",
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{
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{
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]
}