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{
"id": "jvasp-101940",
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"structure_string": "Hf1 H6 C5 O4\n1.0\n3.985767 -0.013379 -0.478762\n-2.057272 4.186348 -0.387770\n-0.006620 0.087738 8.401581\nHf H C O\n1 6 5 4\ndirect\n0.027112 0.201350 0.288592 Hf\n0.441655 0.114066 0.019938 H\n0.846407 0.641981 0.954125 H\n0.596592 0.323819 0.594892 H\n0.816873 0.733960 0.678341 H\n0.339177 0.460780 0.762066 H\n0.898674 0.193727 0.800454 H\n0.041678 0.604429 0.486153 C\n0.869806 0.530615 0.638199 C\n0.268744 0.571330 0.092859 C\n0.067196 0.440077 0.782103 C\n0.122742 0.661004 0.937230 C\n0.548971 0.258680 0.273755 O\n0.064097 0.868130 0.443080 O\n0.359002 0.980903 0.913174 O\n0.601441 0.771858 0.152311 O\n",
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{
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"structure_string": "Ti2 Fe1 Ni1 Sb2\n1.0\n4.014634 -0.001945 5.972276\n1.819311 3.578743 5.972276\n-0.003173 -0.001945 7.196205\nTi Fe Ni Sb\n2 1 1 2\ndirect\n0.371894 0.371893 0.371895 Ti\n0.878859 0.878855 0.878860 Ti\n0.997102 0.997098 0.997104 Fe\n0.501092 0.501089 0.501092 Ni\n0.123633 0.123633 0.123633 Sb\n0.627424 0.627421 0.627425 Sb\n",
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{
"id": "jvasp-101953",
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"structure_string": "Cd1 H6 C5 O4\n1.0\n3.680895 0.011926 0.568592\n0.566254 4.596899 0.294179\n0.002448 0.189200 8.484860\nCd H C O\n1 6 5 4\ndirect\n0.684764 0.664970 0.205333 Cd\n0.173531 0.014901 0.471935 H\n0.540662 0.169811 0.520400 H\n0.309984 0.849813 0.741458 H\n0.445478 0.312671 0.847460 H\n0.854853 0.000652 0.737237 H\n0.982277 0.460050 0.848848 H\n0.050632 0.460922 0.498881 C\n0.244125 0.170576 0.550722 C\n0.136159 0.056566 0.723211 C\n0.165675 0.255197 0.856421 C\n0.064603 0.088537 0.014072 C\n0.156527 0.560128 0.348686 O\n0.785507 0.588499 0.581496 O\n0.800596 0.189736 0.118112 O\n0.218967 0.826042 0.035773 O\n",
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{
"id": "jvasp-101925",
"created_at": "2022-09-04T14:36:56.118528Z",
"updated_at": "2022-09-04T14:36:56.118555Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.876379 0.114344 0.305025\n1.738024 4.387864 0.236757\n-0.359835 0.247440 14.610310\nZn H C O\n1 16 10 4\ndirect\n0.201789 0.945329 0.165914 Zn\n0.263772 0.180822 0.525480 H\n0.407663 0.684388 0.949372 H\n0.919001 0.825865 0.952659 H\n0.313565 0.694544 0.766270 H\n0.831704 0.787131 0.787354 H\n0.175753 0.685212 0.590724 H\n0.704861 0.755017 0.620817 H\n0.014601 0.653843 0.418676 H\n0.553141 0.706819 0.454173 H\n0.462631 0.215035 0.869761 H\n0.981824 0.304689 0.887420 H\n0.386254 0.205575 0.694387 H\n0.915293 0.274226 0.722699 H\n0.127985 0.133160 0.359640 H\n0.684280 0.167611 0.400383 H\n0.801600 0.237191 0.559748 H\n0.171358 0.457808 0.048131 C\n0.172285 0.609816 0.953814 C\n0.187261 0.409832 0.873847 C\n0.106882 0.591314 0.781864 C\n0.104973 0.391476 0.703261 C\n0.839173 0.530410 0.444283 C\n0.979557 0.361188 0.535996 C\n0.842501 0.304729 0.373217 C\n0.674536 0.439207 0.281487 C\n0.986267 0.569398 0.611701 C\n0.054655 0.625341 0.117402 O\n0.721955 0.258243 0.216410 O\n0.476195 0.729771 0.275087 O\n0.278379 0.163561 0.053081 O\n",
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{
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"created_at": "2022-09-04T14:36:48.763451Z",
"updated_at": "2022-09-04T14:36:48.763486Z",
"structure_string": "K1 Ni1 I1 O6\n1.0\n5.022174 -0.000000 0.000000\n-2.511088 4.349330 0.000000\n-0.000000 0.000000 5.960783\nK Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Ni\n0.666666 0.333333 0.500000 I\n0.374345 0.995978 0.679821 O\n0.004022 0.378369 0.679821 O\n0.621630 0.625654 0.679821 O\n0.004022 0.625654 0.320179 O\n0.621630 0.995978 0.320179 O\n0.374346 0.378369 0.320179 O\n",
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{
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"created_at": "2022-09-04T14:36:48.720818Z",
"updated_at": "2022-09-04T14:36:48.720839Z",
"structure_string": "B4 H16 O8 F12\n1.0\n5.450083 0.000000 0.046970\n0.000000 7.260109 0.000000\n0.116340 0.000000 8.595550\nB H O F\n4 16 8 12\ndirect\n0.263625 0.305807 0.918625 B\n0.736375 0.805807 0.581375 B\n0.736375 0.694193 0.081375 B\n0.263625 0.194193 0.418625 B\n0.168277 0.936673 0.840873 H\n0.168277 0.563327 0.340873 H\n0.831722 0.063327 0.159127 H\n0.910783 0.225683 0.657817 H\n0.089217 0.725683 0.842183 H\n0.089217 0.774318 0.342183 H\n0.910783 0.274317 0.157817 H\n0.831722 0.436673 0.659127 H\n0.374845 0.739290 0.181773 H\n0.374845 0.760710 0.681773 H\n0.625154 0.260710 0.818227 H\n0.615562 0.282483 0.515193 H\n0.384437 0.782483 0.984807 H\n0.384437 0.717517 0.484807 H\n0.615562 0.217517 0.015193 H\n0.625154 0.239290 0.318228 H\n0.767502 0.308721 0.664468 O\n0.232498 0.808721 0.835532 O\n0.767502 0.191279 0.164468 O\n0.232498 0.691280 0.335532 O\n0.481991 0.772505 0.085691 O\n0.481991 0.727495 0.585691 O\n0.518008 0.227495 0.914309 O\n0.518008 0.272505 0.414309 O\n0.906348 0.841186 0.102809 F\n0.244663 0.431831 0.797070 F\n0.755337 0.931831 0.702930 F\n0.755337 0.568169 0.202930 F\n0.244663 0.068169 0.297070 F\n0.216433 0.385997 0.065163 F\n0.783567 0.885997 0.434837 F\n0.783567 0.614003 0.934837 F\n0.216433 0.114003 0.565163 F\n0.093651 0.158814 0.897191 F\n0.906348 0.658815 0.602809 F\n0.093651 0.341186 0.397191 F\n",
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{
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"created_at": "2022-09-04T14:36:48.693055Z",
"updated_at": "2022-09-04T14:36:48.693075Z",
"structure_string": "K2 Al1 In1 I6\n1.0\n7.312754 -0.000000 4.222020\n2.437585 6.894531 4.222020\n-0.000000 -0.000000 8.444041\nK Al In I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500000 In\n0.767428 0.232571 0.232572 I\n0.232571 0.232571 0.767429 I\n0.232571 0.767429 0.767429 I\n0.232571 0.767429 0.232572 I\n0.767428 0.232571 0.767429 I\n0.767428 0.767429 0.232572 I\n",
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{
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"created_at": "2022-09-04T14:36:42.752899Z",
"updated_at": "2022-09-04T14:36:42.752912Z",
"structure_string": "K2 Rb1 As1 Cl6\n1.0\n6.729923 -0.000000 3.885523\n2.243308 6.345032 3.885523\n-0.000000 -0.000000 7.771046\nK Rb As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.772702 0.227297 0.227297 Cl\n0.227297 0.227297 0.772703 Cl\n0.227298 0.772702 0.772703 Cl\n0.227298 0.772702 0.227297 Cl\n0.772702 0.227297 0.772703 Cl\n0.772703 0.772702 0.227297 Cl\n",
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{
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"structure_string": "Rb2 Nd1 Ag1 I6\n1.0\n7.431819 -0.000000 4.290762\n2.477273 7.006786 4.290762\n-0.000000 -0.000000 8.581525\nRb Nd Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Nd\n0.000000 0.000000 0.000000 Ag\n0.754059 0.245941 0.245941 I\n0.245941 0.245941 0.754058 I\n0.245941 0.754059 0.754058 I\n0.245941 0.754059 0.245941 I\n0.754059 0.245941 0.754058 I\n0.754058 0.754059 0.245941 I\n",
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{
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"structure_string": "La2 Ga1 Ni1 O6\n1.0\n4.777341 0.002190 2.622395\n1.555964 4.517403 2.621588\n0.005132 0.003856 5.449107\nLa Ga Ni O\n2 1 1 6\ndirect\n0.249126 0.249121 0.249170 La\n0.750873 0.750879 0.750831 La\n0.499999 0.500000 0.500001 Ga\n-0.000000 -0.000000 0.000000 Ni\n0.812337 0.690061 0.247907 O\n0.690113 0.247728 0.812394 O\n0.247697 0.812424 0.690174 O\n0.309886 0.752273 0.187606 O\n0.752301 0.187576 0.309827 O\n0.187661 0.309939 0.752094 O\n",
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"structure_string": "Li2 Co3 Ni1 O8\n1.0\n2.801688 -4.889726 0.006434\n2.833784 4.908256 -0.000000\n2.829263 1.638696 4.733257\nLi Co Ni O\n2 3 1 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n-0.000001 0.500000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.000000 0.000000 Ni\n0.269317 0.032717 0.203883 O\n0.268203 0.532594 0.203016 O\n0.759450 0.024960 0.209859 O\n0.759449 0.524629 0.209859 O\n0.240550 0.475370 0.790140 O\n0.240549 0.975039 0.790140 O\n0.731796 0.467406 0.796983 O\n0.730682 0.967283 0.796117 O\n",
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{
"id": "jvasp-101720",
"created_at": "2022-09-04T14:36:42.763630Z",
"updated_at": "2022-09-04T14:36:42.763648Z",
"structure_string": "Ga1 Ag1 Sn1 Se4\n1.0\n5.377381 0.080614 -4.359982\n-1.172184 5.248687 -4.359982\n-0.063610 -0.080614 6.922545\nGa Ag Sn Se\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250001 0.750001 0.500001 Ag\n0.750000 0.250000 0.500000 Sn\n0.659528 0.650163 0.520769 Se\n0.129394 0.138760 0.479232 Se\n0.861241 0.340472 0.990635 Se\n0.349838 0.870606 0.009366 Se\n",
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}
]
}