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{
"id": "oqmd-824722",
"created_at": "2022-09-04T15:22:19.360742Z",
"updated_at": "2022-09-04T15:22:19.360775Z",
"structure_string": "Fe2 H3 O6\n1.0\n-2.391997 -4.184620 -0.125160\n-2.495928 4.255558 -0.364865\n1.247935 0.104197 -4.324524\nFe H O\n2 3 6\ndirect\n0.881975 0.188622 0.012277 Fe\n0.246498 0.884030 0.037532 Fe\n0.088962 0.571733 0.467078 H\n0.866772 0.825702 0.560756 H\n0.396793 0.515353 0.793912 H\n0.224810 0.188337 0.248153 O\n0.601913 0.934045 0.261172 O\n0.975726 0.580050 0.261397 O\n0.859216 0.818479 0.778996 O\n0.187260 0.510974 0.782092 O\n0.511744 0.141019 0.796630 O\n",
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{
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"structure_string": "Li6 Co4 O11\n1.0\n-4.862852 -8.321810 0.096769\n-2.463485 4.179612 -0.010536\n1.698465 0.027083 -4.717110\nCo Li O\n4 6 11\ndirect\n0.422467 0.184093 0.002481 Co\n0.577771 0.832181 0.006212 Co\n0.082567 0.783370 0.969915 Co\n0.903637 0.159496 0.996884 Co\n0.750805 0.496763 0.007361 Li\n0.502693 0.003463 0.496350 Li\n0.196642 0.736126 0.505660 Li\n0.980587 0.954517 0.506237 Li\n0.660248 0.643252 0.513464 Li\n0.261863 0.509783 0.965954 Li\n0.286724 0.929078 0.212608 O\n0.792805 0.938760 0.219513 O\n0.469248 0.595014 0.223501 O\n0.983246 0.581043 0.224908 O\n0.606721 0.229488 0.229315 O\n0.031599 0.383700 0.762934 O\n0.394866 0.798206 0.773472 O\n0.704530 0.059293 0.782808 O\n0.530877 0.422846 0.787329 O\n0.203216 0.066704 0.789702 O\n0.893053 0.795281 0.800397 O\n",
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"elements": [
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{
"id": "oqmd-824846",
"created_at": "2022-09-04T15:22:19.482525Z",
"updated_at": "2022-09-04T15:22:19.482560Z",
"structure_string": "Sn2 H3 O6\n1.0\n-2.705946 -4.778883 0.234184\n-2.755332 4.816914 0.313087\n2.296718 -0.051353 -4.543144\nH O Sn\n3 6 2\ndirect\n0.483223 0.535365 0.503763 H\n0.175280 0.841840 0.519261 H\n0.152437 0.379101 0.688589 H\n0.981399 0.661429 0.264929 O\n0.616007 0.011604 0.276754 O\n0.251342 0.313220 0.336469 O\n0.025552 0.425618 0.768197 O\n0.767075 0.809440 0.772882 O\n0.381390 0.067133 0.790326 O\n0.830032 0.207894 0.028632 Sn\n0.177338 0.906282 0.050195 Sn\n",
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{
"id": "oqmd-824460",
"created_at": "2022-09-04T15:22:19.666720Z",
"updated_at": "2022-09-04T15:22:19.666743Z",
"structure_string": "Li6 Sn4 O11\n1.0\n-5.537882 -8.876202 0.034304\n-2.820316 4.467679 0.006949\n1.917380 -0.003797 -4.963394\nLi O Sn\n6 11 4\ndirect\n0.213865 0.768569 0.484291 Li\n0.361238 0.409970 0.501127 Li\n0.806832 0.303170 0.501905 Li\n0.980264 0.962273 0.507254 Li\n0.649104 0.609877 0.519609 Li\n0.513792 0.021491 0.523429 Li\n0.006946 0.578229 0.240424 O\n0.802460 0.963134 0.243350 O\n0.475243 0.596594 0.249938 O\n0.288437 0.003207 0.250104 O\n0.602014 0.210831 0.259451 O\n0.009066 0.351329 0.732205 O\n0.692217 0.025304 0.746635 O\n0.391014 0.798711 0.748452 O\n0.197407 0.042621 0.751298 O\n0.522587 0.418429 0.761824 O\n0.900044 0.781552 0.780336 O\n0.581351 0.830257 0.011551 Sn\n0.088268 0.770533 0.952973 Sn\n0.895920 0.152422 0.980884 Sn\n0.413908 0.185328 0.999086 Sn\n",
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{
"id": "oqmd-824844",
"created_at": "2022-09-04T15:22:19.797930Z",
"updated_at": "2022-09-04T15:22:19.797948Z",
"structure_string": "B4 H8 O11\n1.0\n-3.800152 -7.899929 0.096729\n-2.344528 4.159359 0.174931\n1.693721 -0.147424 -4.520549\nB H O\n4 8 11\ndirect\n0.075872 0.944900 0.014897 B\n0.001131 0.393719 0.024723 B\n0.378561 0.107858 0.869462 B\n0.713081 0.727814 0.975577 B\n0.738011 0.192099 0.156711 H\n0.632635 0.537774 0.302078 H\n0.215590 0.485244 0.389895 H\n0.481691 0.942266 0.454508 H\n0.875162 0.003111 0.479041 H\n0.782993 0.458059 0.668312 H\n0.072164 0.555785 0.681586 H\n0.420228 0.689211 0.775384 H\n0.781850 0.107730 0.001556 O\n0.108040 0.287611 0.183750 O\n0.079535 0.752386 0.191906 O\n0.455918 0.194775 0.211077 O\n0.767568 0.742791 0.281157 O\n0.544597 0.030003 0.294815 O\n0.379285 0.810691 0.677573 O\n0.988695 0.315793 0.709608 O\n0.183179 0.994749 0.810302 O\n0.844529 0.704733 0.816348 O\n0.508757 0.449860 0.821495 O\n",
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{
"id": "oqmd-824534",
"created_at": "2022-09-04T15:22:19.756314Z",
"updated_at": "2022-09-04T15:22:19.756323Z",
"structure_string": "Sr2 Fe1 F6\n1.0\n5.428004 -0.100379 -0.033584\n2.490257 5.126595 -0.045275\n2.609040 1.466542 5.042725\nF Fe Sr\n6 1 2\ndirect\n0.858529 0.391216 0.055396 F\n0.521010 0.980946 0.346602 F\n0.084188 0.855590 0.355882 F\n0.964249 0.285629 0.548988 F\n0.497082 0.036425 0.877124 F\n0.287494 0.557241 0.955254 F\n0.202938 0.203605 0.191915 Fe\n0.712667 0.680610 0.680685 Sr\n0.937185 0.976148 0.971510 Sr\n",
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"formula_full": "Sr2 Fe1 F6",
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"spacegroup": 1
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{
"id": "oqmd-824737",
"created_at": "2022-09-04T15:22:20.063962Z",
"updated_at": "2022-09-04T15:22:20.063988Z",
"structure_string": "Zr2 H3 O6\n1.0\n-2.711854 -4.903082 0.274000\n-2.951647 5.031610 0.301934\n2.368175 -0.067555 -4.523352\nH O Zr\n3 6 2\ndirect\n0.473657 0.520375 0.498460 H\n0.142090 0.815908 0.511918 H\n0.172722 0.403856 0.686731 H\n0.945629 0.630694 0.232244 O\n0.645769 0.085511 0.306819 O\n0.250766 0.310595 0.340975 O\n0.349935 0.001202 0.760260 O\n0.781197 0.820116 0.769882 O\n0.094336 0.465426 0.823393 O\n0.815211 0.193223 0.000431 Zr\n0.175564 0.906226 0.068831 Zr\n",
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"formula_full": "Zr2 H3 O6",
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{
"id": "oqmd-824793",
"created_at": "2022-09-04T15:22:19.830965Z",
"updated_at": "2022-09-04T15:22:19.830992Z",
"structure_string": "Zn2 H11 O8\n1.0\n5.484157 -0.011582 0.100287\n-0.010198 5.598702 0.018881\n0.073385 0.013572 4.438523\nH O Zn\n11 8 2\ndirect\n0.292109 0.269718 0.034021 H\n0.960662 0.387342 0.159401 H\n0.527477 0.404579 0.209288 H\n0.875881 0.085187 0.281380 H\n0.597787 0.040500 0.345886 H\n0.737408 0.692754 0.465386 H\n0.225290 0.309642 0.545817 H\n0.122290 0.958839 0.709840 H\n0.124824 0.561337 0.735000 H\n0.462851 0.873581 0.789683 H\n0.709499 0.767322 0.968862 H\n0.996037 0.240372 0.041782 O\n0.475028 0.276682 0.062193 O\n0.720034 0.521673 0.418387 O\n0.753290 0.021793 0.450261 O\n0.223782 0.489414 0.550151 O\n0.252677 0.003120 0.559254 O\n0.987427 0.713508 0.952653 O\n0.522220 0.789144 0.972262 O\n0.225570 0.760375 0.250338 Zn\n0.739743 0.301220 0.748169 Zn\n",
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{
"id": "oqmd-824851",
"created_at": "2022-09-04T15:22:19.835303Z",
"updated_at": "2022-09-04T15:22:19.835321Z",
"structure_string": "Sn2 H1 O6\n1.0\n-2.527343 -5.595667 -0.512266\n-2.257268 5.459230 0.128263\n1.287523 -0.191298 -3.413344\nH O Sn\n1 6 2\ndirect\n0.452229 0.474751 0.457716 H\n0.265901 0.261271 0.244042 O\n0.880165 0.579951 0.273707 O\n0.465166 0.944439 0.321288 O\n0.499290 0.093987 0.683461 O\n0.084287 0.457876 0.733410 O\n0.726271 0.800852 0.777620 O\n0.910578 0.236119 0.138892 Sn\n0.057189 0.809681 0.869867 Sn\n",
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{
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"created_at": "2022-09-04T15:22:19.843990Z",
"updated_at": "2022-09-04T15:22:19.844018Z",
"structure_string": "Fe2 Sn1 Cl6\n1.0\n5.965885 0.040165 -0.005205\n2.950818 5.346461 0.002424\n1.060407 1.541017 7.232764\nCl Fe Sn\n6 2 1\ndirect\n0.964376 0.446960 0.105069 Cl\n0.292101 0.801156 0.224184 Cl\n0.612515 0.113988 0.293285 Cl\n0.771882 0.460984 0.566358 Cl\n0.088678 0.796761 0.646631 Cl\n0.413258 0.063906 0.751010 Cl\n0.966525 0.149963 0.378287 Fe\n0.415655 0.897059 0.492028 Fe\n0.982441 0.109464 0.923186 Sn\n",
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{
"id": "oqmd-824695",
"created_at": "2022-09-04T15:22:19.948847Z",
"updated_at": "2022-09-04T15:22:19.948868Z",
"structure_string": "Si4 H8 O11\n1.0\n-4.473363 -8.225050 -0.616320\n-2.288598 4.144734 0.389673\n1.610189 -0.378807 -4.400239\nH O Si\n8 11 4\ndirect\n0.127531 0.393478 0.430628 H\n0.885134 0.204632 0.470675 H\n0.270099 0.051358 0.487668 H\n0.584595 0.291085 0.510097 H\n0.921747 0.761362 0.522224 H\n0.631050 0.841931 0.577618 H\n0.285973 0.537632 0.845711 H\n0.693031 0.454108 0.899795 H\n0.955735 0.637644 0.198958 O\n0.112385 0.304043 0.203146 O\n0.805132 0.029955 0.246017 O\n0.279543 0.040470 0.261129 O\n0.599822 0.249718 0.281379 O\n0.027378 0.437394 0.749377 O\n0.915842 0.826453 0.753074 O\n0.249453 0.083855 0.794655 O\n0.695754 0.999195 0.798779 O\n0.574773 0.373157 0.804914 O\n0.393780 0.753185 0.839293 O\n0.431327 0.215042 0.048066 Si\n0.579676 0.838950 0.081855 Si\n0.086660 0.876268 0.989466 Si\n0.924067 0.226343 0.991675 Si\n",
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{
"id": "oqmd-824706",
"created_at": "2022-09-04T15:22:20.109214Z",
"updated_at": "2022-09-04T15:22:20.109222Z",
"structure_string": "Al4 H8 O11\n1.0\n-4.994333 -8.944748 -0.009486\n-2.294364 4.334745 0.312375\n1.892029 -0.121848 -4.306900\nAl H O\n4 8 11\ndirect\n0.079586 0.870409 0.039590 Al\n0.570232 0.826217 0.875226 Al\n0.399839 0.097052 0.963241 Al\n0.910812 0.164815 0.991150 Al\n0.730301 0.701927 0.182678 H\n0.641826 0.351616 0.403016 H\n0.213412 0.457788 0.455508 H\n0.071741 0.757151 0.473817 H\n0.887585 0.695674 0.534392 H\n0.045259 0.348942 0.607173 H\n0.743789 0.275266 0.690894 H\n0.255300 0.318426 0.819712 H\n0.749529 0.908927 0.149320 O\n0.617396 0.284260 0.173823 O\n0.975545 0.616416 0.262035 O\n0.094090 0.248823 0.283571 O\n0.353589 0.168402 0.337610 O\n0.481977 0.324514 0.666778 O\n0.709217 0.047897 0.697691 O\n0.881393 0.743508 0.748555 O\n0.360760 0.685104 0.770572 O\n0.045721 0.450339 0.819369 O\n0.216971 0.081041 0.828050 O\n",
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}
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}