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{
"id": "jvasp-52910",
"created_at": "2022-09-04T14:36:56.896698Z",
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"structure_string": "Mg2 H4 Se4 O12\n1.0\n0.000000 5.580969 0.007691\n5.183198 0.000000 0.000000\n0.000000 -5.460532 -9.159525\nMg H Se O\n2 4 4 12\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.698692 0.030861 0.467364 H\n0.698691 0.469139 0.967363 H\n0.301308 0.969139 0.532636 H\n0.301309 0.530862 0.032636 H\n0.321092 0.328892 0.333008 Se\n0.321092 0.171108 0.833008 Se\n0.678908 0.671109 0.666992 Se\n0.678908 0.828892 0.166992 Se\n0.685216 0.291293 0.922019 O\n0.685216 0.208707 0.422019 O\n0.729180 0.759215 0.024116 O\n0.729179 0.740786 0.524116 O\n0.270820 0.240785 0.975884 O\n0.153602 0.084736 0.216479 O\n0.846398 0.584736 0.283521 O\n0.846398 0.915265 0.783521 O\n0.153602 0.415265 0.716478 O\n0.314784 0.791293 0.577980 O\n0.270821 0.259215 0.475884 O\n0.314784 0.708707 0.077981 O\n",
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{
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"structure_string": "Li1 Nd2 H1 O3\n1.0\n3.379156 0.000000 -0.894376\n-0.264655 3.543249 -0.999927\n0.005319 0.010992 6.850897\nLi Nd H O\n1 2 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.364110 0.364104 0.728218 Nd\n0.635892 0.635896 0.271782 Nd\n0.500001 0.000000 -0.000000 H\n0.000001 0.500000 -0.000000 O\n0.823971 0.823967 0.647935 O\n0.176032 0.176032 0.352064 O\n",
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{
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"structure_string": "Rb2 In1 Au1 F6\n1.0\n5.542808 -0.000000 3.200142\n1.847603 5.225810 3.200142\n-0.000000 -0.000000 6.400284\nRb In Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.499999 Au\n0.768362 0.231639 0.231638 F\n0.231638 0.231639 0.768361 F\n0.231638 0.768362 0.768361 F\n0.231638 0.768362 0.231638 F\n0.768362 0.231639 0.768361 F\n0.768361 0.768362 0.231638 F\n",
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{
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"updated_at": "2022-09-04T14:37:05.678604Z",
"structure_string": "Sr6 Ni2 Ir2 O12\n1.0\n6.696320 0.028220 -0.202586\n-0.209659 6.693097 -0.202586\n0.027235 0.028220 6.699329\nSr Ni Ir O\n6 2 2 12\ndirect\n0.385941 0.114059 0.750000 Sr\n0.885941 0.250001 0.614059 Sr\n0.249999 0.614059 0.885940 Sr\n0.114058 0.750000 0.385941 Sr\n0.614057 0.885942 0.249999 Sr\n0.749999 0.385941 0.114058 Sr\n0.250000 0.249999 0.250000 Ni\n0.750000 0.750000 0.749999 Ni\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.499999 Ir\n0.093339 0.287225 0.963060 O\n0.787224 0.593340 0.463060 O\n0.536938 0.212775 0.406660 O\n0.406660 0.536940 0.212776 O\n0.212776 0.406661 0.536939 O\n0.712776 0.036940 0.906661 O\n0.906661 0.712777 0.036938 O\n0.036939 0.906662 0.712775 O\n0.463060 0.787224 0.593339 O\n0.593338 0.463060 0.787224 O\n0.963060 0.093339 0.287223 O\n0.287223 0.963061 0.093338 O\n",
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{
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"created_at": "2022-09-04T14:36:48.247733Z",
"updated_at": "2022-09-04T14:36:48.247754Z",
"structure_string": "Sn1 H16 C9 O4\n1.0\n4.794270 -0.008918 -0.437245\n-1.013013 6.433339 -1.818513\n0.075948 0.256275 8.912866\nSn H C O\n1 16 9 4\ndirect\n0.294381 0.357413 0.627663 Sn\n0.676262 0.715791 0.998110 H\n0.016927 0.678448 0.677513 H\n0.223159 0.941913 0.526873 H\n0.036603 0.049521 0.388950 H\n0.891424 0.030161 0.566272 H\n0.895759 0.888202 0.156403 H\n0.161027 0.647119 0.862797 H\n0.385416 0.768978 0.747177 H\n0.484926 0.871842 0.320760 H\n0.868136 0.644597 0.329554 H\n0.670493 0.455773 0.174587 H\n0.906921 0.219369 0.018847 H\n0.801347 0.994114 0.873456 H\n0.327136 -0.031877 0.016260 H\n0.541785 0.135938 0.177346 H\n0.291619 0.677820 0.163807 H\n0.548308 0.018542 0.067935 C\n0.715758 0.113507 0.957532 C\n0.651322 0.583840 0.275087 C\n0.507448 0.745982 0.219243 C\n0.549798 0.224066 0.861878 C\n0.493468 0.491901 0.386980 C\n0.203492 0.652278 0.744847 C\n0.085049 0.054784 0.512213 C\n0.672655 0.837169 0.106420 C\n0.636727 0.436791 0.496542 O\n0.666393 0.283481 0.750040 O\n0.300402 0.252187 0.880837 O\n0.228616 0.469057 0.380008 O\n",
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"formula_full": "Sn1 H16 C9 O4",
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{
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"created_at": "2022-09-04T14:37:05.473130Z",
"updated_at": "2022-09-04T14:37:05.473155Z",
"structure_string": "Zn1 In2 Ge1 As4\n1.0\n5.110920 0.007197 -4.568251\n-1.018410 5.008432 -4.568251\n-0.005872 -0.007197 6.854953\nZn In Ge As\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.500000 0.500000 0.000000 Ge\n0.500000 -0.000000 0.500000 As\n0.747992 0.747992 0.000000 As\n0.000000 0.499999 0.500000 As\n0.252008 0.252008 0.000000 As\n",
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{
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"created_at": "2022-09-04T14:36:47.430153Z",
"updated_at": "2022-09-04T14:36:47.430171Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.457697 -0.016288 -0.430454\n-2.184252 4.351939 -0.360312\n-0.026727 0.590933 9.607275\nZn H C O\n1 10 7 4\ndirect\n0.902239 0.355219 0.820640 Zn\n0.968588 0.196297 0.478286 H\n0.386911 0.627440 0.191512 H\n0.089846 0.671172 0.285015 H\n0.471445 0.224628 0.341933 H\n0.761035 0.200373 0.236044 H\n0.122170 0.093326 0.109213 H\n0.891153 0.697886 0.051239 H\n0.431854 0.999980 0.586388 H\n0.310456 0.625517 0.507633 H\n0.844635 0.830438 0.395307 H\n0.732778 0.780317 0.664311 C\n0.525231 0.842626 0.547280 C\n0.748539 0.988873 0.431399 C\n0.573545 0.070050 0.305746 C\n0.292733 0.792997 0.220662 C\n0.142589 0.880550 0.086959 C\n0.366913 0.928739 0.973041 C\n0.602345 0.197977 0.968080 O\n0.948454 0.999194 0.748007 O\n0.699339 0.507161 0.668097 O\n0.331575 0.701883 0.893398 O\n",
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{
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"created_at": "2022-09-04T14:37:04.858359Z",
"updated_at": "2022-09-04T14:37:04.858384Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.452978 -0.015795 -0.009259\n-0.637188 7.473283 0.009925\n-2.329105 -3.678548 7.518906\nLi V O F\n3 6 3 15\ndirect\n0.414170 0.277415 0.993061 Li\n0.901207 0.533430 0.649835 Li\n0.439865 0.790520 0.017446 Li\n0.646844 0.670781 0.325148 V\n0.667280 0.173670 0.344688 V\n0.019186 0.506315 0.014099 V\n0.357673 0.332889 0.656800 V\n0.006585 0.998493 0.989409 V\n0.326776 0.851634 0.672568 V\n0.228377 0.984855 0.863955 O\n0.571981 0.320538 0.531067 O\n0.365770 0.616834 0.133146 O\n0.304234 0.010164 0.190222 F\n0.718476 0.961427 0.422640 F\n0.747502 0.990611 0.120515 F\n0.621248 0.366089 0.233268 F\n0.947638 0.696233 0.538895 F\n0.424867 0.668704 0.472428 F\n0.626695 0.370574 0.885714 F\n0.037043 0.320922 0.473366 F\n0.374765 0.633986 0.766912 F\n0.945488 0.692262 0.896311 F\n0.278164 0.042008 0.572171 F\n0.061105 0.291285 0.093026 F\n0.103174 0.335663 0.796634 F\n0.699035 0.976366 0.794871 F\n0.906695 0.677518 0.208504 F\n",
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{
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"created_at": "2022-09-04T14:36:47.437325Z",
"updated_at": "2022-09-04T14:36:47.437346Z",
"structure_string": "Tl1 In2 Ga1 Se4\n1.0\n6.427583 -0.037422 -1.694442\n-2.571182 5.170259 -3.292993\n-0.022323 0.037422 6.647139\nTl In Ga Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 -0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Ga\n0.501322 0.101429 0.938686 Se\n0.498678 0.437364 0.600108 Se\n0.162743 0.562636 0.061315 Se\n0.837257 0.898571 0.399894 Se\n",
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{
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"created_at": "2022-09-04T14:36:47.482256Z",
"updated_at": "2022-09-04T14:36:47.482265Z",
"structure_string": "K2 Al1 In1 Cl6\n1.0\n6.450442 -0.000000 3.724164\n2.150147 6.081535 3.724164\n-0.000000 -0.000000 7.448329\nK Al In Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.778346 0.221654 0.221654 Cl\n0.221655 0.221654 0.778346 Cl\n0.221655 0.778345 0.778345 Cl\n0.221655 0.778345 0.221654 Cl\n0.778346 0.221654 0.778345 Cl\n0.778346 0.778345 0.221654 Cl\n",
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{
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"created_at": "2022-09-04T14:36:47.554239Z",
"updated_at": "2022-09-04T14:36:47.554266Z",
"structure_string": "Na2 H6 Se4 O12\n1.0\n0.000000 4.511503 0.034681\n5.980315 0.000000 0.000000\n0.000000 -3.868929 -10.373610\nNa H Se O\n2 6 4 12\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.790065 0.554348 0.686561 H\n0.790065 0.945653 0.186561 H\n0.209934 0.445653 0.313439 H\n0.209934 0.054347 0.813439 H\n0.311085 0.887571 0.343074 Se\n0.311085 0.612430 0.843074 Se\n0.688914 0.112430 0.656927 Se\n0.688914 0.387571 0.156926 Se\n0.964123 0.826714 0.199080 O\n0.849941 0.361425 0.035135 O\n0.849941 0.138576 0.535135 O\n0.150058 0.638576 0.964865 O\n0.150058 0.861425 0.464865 O\n0.525290 0.131120 0.145891 O\n0.525289 0.368880 0.645892 O\n0.474710 0.868881 0.854109 O\n0.474710 0.631120 0.354109 O\n0.035877 0.173286 0.800920 O\n0.035877 0.326714 0.300920 O\n0.964122 0.673287 0.699080 O\n",
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"formula_full": "Na2 H6 Se4 O12",
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{
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"structure_string": "Cr1 Cu1 P2 Se6\n1.0\n6.203995 -0.003477 0.882800\n-3.289466 5.260130 0.882800\n0.035816 0.064598 6.935609\nCr Cu P Se\n1 1 2 6\ndirect\n0.331542 0.668457 0.000000 Cr\n0.675528 0.324471 0.000000 Cu\n0.052676 0.054251 0.832467 P\n0.945747 0.947324 0.167533 P\n0.096613 0.437753 0.752552 Se\n0.418131 0.063805 0.750679 Se\n0.936194 0.581868 0.249322 Se\n0.562246 0.903387 0.247449 Se\n0.721051 0.739733 0.754283 Se\n0.260267 0.278949 0.245717 Se\n",
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]
}