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"id": "jvasp-85930",
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"structure_string": "Bi2 P2 O8\n1.0\n4.755192 0.040964 0.000000\n-0.491638 4.728399 0.000000\n0.000000 0.000000 7.195021\nBi P O\n2 2 8\ndirect\n0.863403 0.862816 0.499999 Bi\n0.136596 0.137184 -0.000001 Bi\n0.346648 0.345772 0.499999 P\n0.653351 0.654228 -0.000001 P\n0.193619 0.193099 0.331179 O\n0.683955 0.333428 0.000008 O\n0.806380 0.806901 0.831179 O\n0.806395 0.806920 0.168808 O\n0.193604 0.193079 0.668808 O\n0.316044 0.666572 0.500008 O\n0.667202 0.314163 0.500005 O\n0.332797 0.685836 0.000006 O\n",
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"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242720 0.018070 -0.833090\n-0.494086 6.775387 -2.005032\n0.006167 -0.022650 9.108973\nTi Tl P S\n2 2 2 10\ndirect\n0.502310 0.276925 0.000829 Ti\n0.497690 0.723076 0.999171 Ti\n0.725353 0.685098 0.451008 Tl\n0.274647 0.314902 0.548991 Tl\n0.277306 0.895413 0.729065 P\n0.722694 0.104588 0.270935 P\n0.156007 0.692555 0.826336 S\n0.332387 0.543750 0.132492 S\n0.397107 0.061700 0.175258 S\n0.602893 0.938300 0.824742 S\n0.159307 0.163865 0.831268 S\n0.772803 0.188102 0.501826 S\n0.667613 0.456250 0.867508 S\n0.227197 0.811899 0.498173 S\n0.840692 0.836136 0.168732 S\n0.843993 0.307446 0.173664 S\n",
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{
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"structure_string": "Sc2 Re4 O12\n1.0\n4.852172 0.000000 0.000000\n0.000000 5.621637 -0.754692\n0.000000 -0.024240 7.561171\nSc Re O\n2 4 12\ndirect\n0.500000 -0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.008837 0.870634 0.848994 Re\n0.991162 0.129366 0.151006 Re\n0.491163 0.370634 0.848994 Re\n0.508837 0.629366 0.151006 Re\n0.821927 0.824346 0.616792 O\n0.732633 0.657122 0.930349 O\n0.716737 0.922823 0.248436 O\n0.321927 0.675654 0.383208 O\n0.216737 0.577178 0.751564 O\n0.783263 0.422823 0.248436 O\n0.178073 0.175654 0.383208 O\n0.232634 0.842878 0.069651 O\n0.767366 0.157122 0.930349 O\n0.678073 0.324346 0.616792 O\n0.283263 0.077177 0.751564 O\n0.267366 0.342878 0.069651 O\n",
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{
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"created_at": "2022-09-04T14:35:53.226864Z",
"updated_at": "2022-09-04T14:35:53.226894Z",
"structure_string": "Ba1 B2 F8\n1.0\n4.454355 -0.001198 -1.643140\n-0.691720 4.636728 -1.878542\n0.022918 0.003778 6.791186\nBa B F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.285934 0.347380 0.694725 B\n0.714065 0.652620 0.305276 B\n0.464870 0.614725 0.769283 F\n0.857180 0.771522 0.543090 F\n0.464892 0.154607 0.769246 F\n0.063190 0.399293 0.798587 F\n0.535107 0.845393 0.230755 F\n0.535130 0.385276 0.230718 F\n0.142820 0.228479 0.456911 F\n0.936809 0.600708 0.201414 F\n",
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{
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"created_at": "2022-09-04T14:35:46.151694Z",
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"structure_string": "Eu4 I4 O2\n1.0\n5.376028 -0.000000 -2.320453\n-1.450521 6.440485 -3.360569\n0.164325 -0.169802 7.768528\nEu I O\n4 4 2\ndirect\n0.898647 0.568343 0.797291 Eu\n0.601355 0.771052 0.202710 Eu\n0.398646 0.228948 0.797291 Eu\n0.101355 0.431656 0.202710 Eu\n0.140275 0.002183 0.280549 I\n0.640275 0.278366 0.280549 I\n0.359726 0.721634 0.719451 I\n0.859727 0.997817 0.719452 I\n0.750000 0.500000 0.000000 O\n0.250000 0.500000 -0.000000 O\n",
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"created_at": "2022-09-04T14:35:43.000841Z",
"updated_at": "2022-09-04T14:35:43.000870Z",
"structure_string": "Li3 Ti4 O8\n1.0\n4.924304 0.005371 0.000000\n-0.055348 4.958575 0.000000\n0.000000 0.000000 5.699993\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.500000 0.016274 Li\n0.500000 -0.000000 0.769424 Li\n0.500000 -0.000000 0.262328 Li\n0.499999 0.500000 0.755459 Ti\n0.000000 0.000000 0.515914 Ti\n0.499999 0.500000 0.276423 Ti\n0.000000 0.000000 0.015868 Ti\n0.185206 0.230121 0.772738 O\n0.185175 0.230166 0.259066 O\n0.682460 0.264475 0.015936 O\n0.814792 0.769879 0.772738 O\n0.814824 0.769835 0.259066 O\n0.671037 0.250663 0.515915 O\n0.328962 0.749338 0.515915 O\n0.317539 0.735526 0.015936 O\n",
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{
"id": "jvasp-85920",
"created_at": "2022-09-04T14:36:19.430202Z",
"updated_at": "2022-09-04T14:36:19.430230Z",
"structure_string": "K2 Na2 Nd2 Nb2 O10\n1.0\n5.769772 -0.000000 -0.000000\n0.000000 5.769772 -0.000000\n0.000000 0.000000 8.303905\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757842 Na\n0.750000 0.750000 0.242159 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255824 Nb\n0.750000 0.750000 0.744176 Nb\n0.981976 0.518023 0.671544 O\n0.518023 0.981976 0.671544 O\n0.250000 0.250000 0.030513 O\n0.481976 0.481976 0.328457 O\n0.981976 0.981976 0.671544 O\n0.750000 0.750000 0.969487 O\n0.518023 0.518023 0.671544 O\n0.018024 0.018024 0.328457 O\n0.481976 0.018024 0.328457 O\n0.018024 0.481976 0.328457 O\n",
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"formula_full": "K2 Na2 Nd2 Nb2 O10",
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"structure_string": "Rb2 Te1 Br6\n1.0\n6.584772 0.000000 3.801720\n2.194924 6.208183 3.801720\n0.000000 0.000000 7.603440\nRb Te Br\n2 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Te\n0.253771 0.746228 0.746228 Br\n0.253771 0.746228 0.253772 Br\n0.746228 0.253772 0.746228 Br\n0.746228 0.253772 0.253772 Br\n0.746227 0.746228 0.253772 Br\n0.253772 0.253772 0.746228 Br\n",
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{
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"created_at": "2022-09-04T14:36:11.469325Z",
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"structure_string": "K2 C2 Br2 N4 O8\n1.0\n5.994702 0.084599 -1.465926\n-1.491209 6.126778 -3.152767\n0.007444 0.003866 7.375603\nK C Br N O\n2 2 2 4 8\ndirect\n0.327966 0.278909 0.127384 K\n0.672033 0.721092 0.872615 K\n0.952538 0.243067 0.537866 C\n0.047461 0.756934 0.462133 C\n0.796733 0.203491 0.711265 Br\n0.203266 0.796510 0.288734 Br\n0.822491 0.638321 0.369386 N\n0.177509 0.361680 0.630613 N\n0.834137 0.158854 0.323780 N\n0.165862 0.841147 0.676219 N\n0.272857 0.421516 0.825496 O\n0.714941 0.587825 0.473385 O\n0.727142 0.578485 0.174503 O\n0.371865 0.945611 0.741789 O\n0.628134 0.054390 0.258210 O\n0.285059 0.412176 0.526614 O\n0.924642 0.179002 0.194291 O\n0.075357 0.820999 0.805708 O\n",
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"created_at": "2022-09-04T14:35:50.004478Z",
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"structure_string": "Ba2 Sn1 O4\n1.0\n4.023869 -0.000000 -1.197594\n-0.356431 4.008051 -1.197594\n-0.005909 -0.006458 7.338960\nBa Sn O\n2 1 4\ndirect\n0.645908 0.645908 0.291818 Ba\n0.354092 0.354091 0.708183 Ba\n0.000000 0.000000 0.000000 Sn\n0.843982 0.843981 0.687965 O\n0.156018 0.156018 0.312036 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
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]
}