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{
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{
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{
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"structure_string": "Ba1 Ti1 As2 O8\n1.0\n4.296056 2.754829 -0.282162\n4.296056 -2.754829 -0.282162\n-0.076617 0.000000 -7.991046\nBa Ti As O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ti\n0.363994 0.363994 0.797193 As\n0.636006 0.636006 0.202807 As\n0.306372 0.306372 0.598267 O\n0.693628 0.693628 0.401733 O\n0.733314 0.226575 0.820147 O\n0.266686 0.773425 0.179853 O\n0.773425 0.266686 0.179853 O\n0.226575 0.733314 0.820147 O\n0.220433 0.220433 0.954074 O\n0.779567 0.779567 0.045926 O\n",
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{
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"structure_string": "Nd2 Te4\n1.0\n4.508331 0.000000 0.000000\n0.000000 4.508331 0.000000\n0.000000 0.000000 9.189379\nNd Te\n2 4\ndirect\n0.000000 0.500000 0.727377 Nd\n0.500000 0.000000 0.272623 Nd\n0.000000 0.500000 0.369803 Te\n0.500000 0.000000 0.630197 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
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{
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"structure_string": "Li4 B4 H8\n1.0\n3.035072 0.000000 0.000000\n0.000000 5.622194 0.000000\n0.000000 0.000000 8.216988\nLi B H\n4 4 8\ndirect\n0.750000 0.850176 0.761809 Li\n0.750000 0.649824 0.261809 Li\n0.250000 0.350176 0.738191 Li\n0.250000 0.149824 0.238191 Li\n0.250000 0.422252 0.455554 B\n0.250000 0.077748 0.955554 B\n0.750000 0.922252 0.044446 B\n0.750000 0.577748 0.544446 B\n0.750000 0.432669 0.410529 H\n0.750000 0.720275 0.986781 H\n0.250000 0.279725 0.013219 H\n0.250000 0.220275 0.513219 H\n0.250000 0.567331 0.589471 H\n0.750000 0.779725 0.486781 H\n0.250000 0.932669 0.089471 H\n0.750000 0.067331 0.910529 H\n",
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{
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"structure_string": "H16 C2 I2 N10 O6\n1.0\n6.904711 0.000000 0.000000\n-3.043842 6.622471 0.000000\n-1.280111 -1.873730 9.009226\nH C I N O\n16 2 2 10 6\ndirect\n0.174418 0.367842 0.608631 H\n0.825582 0.632158 0.391369 H\n0.179797 0.540267 0.829200 H\n0.820203 0.459733 0.170800 H\n0.442780 0.594794 0.894032 H\n0.557220 0.405206 0.105968 H\n0.241193 0.357145 0.899785 H\n0.758807 0.642855 0.100215 H\n0.567456 0.194479 0.533165 H\n0.432544 0.805521 0.466835 H\n0.336815 0.231134 0.454456 H\n0.663185 0.768866 0.545544 H\n0.804127 0.790445 0.877227 H\n0.195873 0.209555 0.122773 H\n0.738449 0.925565 0.989015 H\n0.261551 0.074435 0.010985 H\n0.448554 0.321946 0.679135 C\n0.551446 0.678054 0.320865 C\n0.030259 0.762876 0.686698 I\n0.969741 0.237124 0.313302 I\n0.572325 0.335540 0.809769 N\n0.427675 0.664460 0.190231 N\n0.717129 0.256618 0.809191 N\n0.282871 0.743382 0.190809 N\n0.305864 0.405346 0.693447 N\n0.694136 0.594654 0.306553 N\n0.288452 0.474320 0.838361 N\n0.711548 0.525680 0.161639 N\n0.450918 0.244251 0.543144 N\n0.549082 0.755749 0.456856 N\n0.753970 0.180872 0.692242 O\n0.246030 0.819128 0.307758 O\n0.817673 0.264327 0.935170 O\n0.182327 0.735673 0.064830 O\n0.707381 0.783209 0.948554 O\n0.292619 0.216791 0.051446 O\n",
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{
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"structure_string": "Mg4 Si8\n1.0\n12.089956 -0.123382 4.597343\n0.576489 3.230993 1.228527\n-0.093862 -0.091379 5.142812\nMg Si\n4 8\ndirect\n0.940002 0.212765 0.044467 Mg\n0.187030 0.977690 0.002379 Mg\n0.375358 0.469049 0.644301 Mg\n0.561650 0.946641 0.310373 Mg\n0.036333 0.403365 0.444894 Si\n0.871499 0.980023 0.638051 Si\n0.729237 0.453797 0.944818 Si\n0.315196 0.221750 0.260681 Si\n0.764856 0.709011 0.410230 Si\n0.157864 0.721407 0.571572 Si\n0.455122 0.712487 0.997676 Si\n0.605754 0.191967 0.730629 Si\n",
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{
"id": "mp-1209223",
"created_at": "2022-09-04T14:40:08.820981Z",
"structure_string": "Te12 O8 F48\n1.0\n-5.865104 5.865104 12.259836\n5.865104 -5.865104 12.259836\n5.865104 5.865104 -12.259836\nTe O F\n12 8 48\ndirect\n0.139131 0.363439 0.269581 Te\n0.093858 0.869550 0.730419 Te\n0.113439 0.343858 0.724308 Te\n0.610869 0.886561 0.230419 Te\n0.619550 0.389131 0.275692 Te\n0.656142 0.380450 0.769581 Te\n0.636561 0.906142 0.775692 Te\n0.130450 0.860869 0.224308 Te\n0.375000 0.125000 0.250000 Te\n0.875000 0.125000 0.750000 Te\n0.875000 0.125000 0.250000 Te\n0.875000 0.625000 0.750000 Te\n0.278343 0.266325 0.276528 O\n0.989797 0.001815 0.723472 O\n0.016325 0.239797 0.487982 O\n0.471657 0.983675 0.223472 O\n0.751815 0.528343 0.512018 O\n0.760203 0.248185 0.776528 O\n0.733675 0.010203 0.012018 O\n0.998185 0.721657 0.987982 O\n0.264269 0.506534 0.466584 F\n0.039951 0.797685 0.533416 F\n0.256534 0.289951 0.742266 F\n0.485731 0.743466 0.033416 F\n0.547685 0.514269 0.257734 F\n0.710049 0.452315 0.966584 F\n0.493466 0.960049 0.757734 F\n0.202315 0.735731 0.242266 F\n0.449413 0.728111 0.332435 F\n0.395677 0.116978 0.667565 F\n0.478111 0.645677 0.778699 F\n0.300587 0.521889 0.167565 F\n0.866978 0.699413 0.221301 F\n0.354323 0.133022 0.832435 F\n0.271889 0.604323 0.721301 F\n0.883022 0.550587 0.278699 F\n0.260702 0.045199 0.213873 F\n0.831326 0.046829 0.786127 F\n0.795199 0.081326 0.284497 F\n0.489298 0.204801 0.286127 F\n0.796829 0.510702 0.715503 F\n0.918674 0.203171 0.713873 F\n0.954801 0.168674 0.215503 F\n0.953171 0.739298 0.784497 F\n0.676003 0.790734 0.304484 F\n0.486251 0.371519 0.695516 F\n0.540734 0.736251 0.614731 F\n0.073997 0.459266 0.195516 F\n0.121519 0.926003 0.385269 F\n0.263749 0.878481 0.804484 F\n0.209266 0.513749 0.885269 F\n0.628481 0.323997 0.114731 F\n0.326768 0.561988 0.332250 F\n0.229739 0.994519 0.667750 F\n0.311988 0.479739 0.735220 F\n0.423232 0.688012 0.167750 F\n0.744519 0.576768 0.264780 F\n0.520261 0.255481 0.832250 F\n0.438012 0.770261 0.764780 F\n0.005481 0.673232 0.235220 F\n0.118546 0.369608 0.388718 F\n0.980890 0.729828 0.611282 F\n0.119608 0.230890 0.751062 F\n0.631454 0.880392 0.111282 F\n0.479828 0.368546 0.248938 F\n0.769110 0.520172 0.888718 F\n0.630392 0.019110 0.748938 F\n0.270172 0.881454 0.251062 F\n",
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{
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"updated_at": "2021-11-28T01:34:49.852000Z",
"spacegroup": 227
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{
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"updated_at": "2021-11-28T01:34:55.399000Z",
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{
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"created_at": "2022-09-04T14:40:08.914700Z",
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"volume": 236.0418787230046,
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"formula_full": "Tb3 Al9",
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"updated_at": "2021-11-28T01:34:48.132000Z",
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]
}