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{
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{
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{
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},
{
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"structure_string": "B6 C36 Br6 N6 F30\n1.0\n7.938894 8.599832 0.000000\n-7.938894 8.599832 0.000000\n0.000000 7.540926 9.364180\nB C Br N F\n6 36 6 6 30\ndirect\n0.514418 0.325392 0.875721 B\n0.485582 0.674608 0.124279 B\n0.674608 0.485582 0.624279 B\n0.325392 0.514418 0.375721 B\n0.458397 0.541603 0.750000 B\n0.541603 0.458397 0.250000 B\n0.307647 0.035983 0.726517 C\n0.692353 0.964017 0.273483 C\n0.964017 0.692353 0.773483 C\n0.035983 0.307647 0.226517 C\n0.667088 0.816541 0.507506 C\n0.332912 0.183459 0.492494 C\n0.183459 0.332912 0.992494 C\n0.816541 0.667088 0.007506 C\n0.739676 0.185365 0.693380 C\n0.260324 0.814635 0.306620 C\n0.814635 0.260324 0.806620 C\n0.185365 0.739676 0.193380 C\n0.386879 0.266007 0.613489 C\n0.613121 0.733993 0.386511 C\n0.733993 0.613121 0.886511 C\n0.266007 0.386879 0.113489 C\n0.827460 0.097680 0.692252 C\n0.172540 0.902320 0.307748 C\n0.902320 0.172540 0.807748 C\n0.097680 0.827460 0.192252 C\n0.908904 0.091096 0.750000 C\n0.091096 0.908904 0.250000 C\n0.622909 0.708336 0.507645 C\n0.377091 0.291664 0.492355 C\n0.291664 0.377091 0.992355 C\n0.708336 0.622909 0.007645 C\n0.730670 0.269330 0.750000 C\n0.269330 0.730670 0.250000 C\n0.299136 0.057454 0.606533 C\n0.700864 0.942546 0.393467 C\n0.942546 0.700864 0.893467 C\n0.057454 0.299136 0.106533 C\n0.351982 0.141141 0.729493 C\n0.648018 0.858859 0.270507 C\n0.858859 0.648018 0.770507 C\n0.141141 0.351982 0.229493 C\n0.337681 0.662319 0.750000 Br\n0.662319 0.337681 0.250000 Br\n0.527178 0.837289 0.953859 Br\n0.472822 0.162711 0.046141 Br\n0.162711 0.472822 0.546141 Br\n0.837289 0.527178 0.453859 Br\n0.640204 0.359796 0.750000 N\n0.359796 0.640204 0.250000 N\n0.420754 0.413642 0.873235 N\n0.579246 0.586358 0.126765 N\n0.586358 0.579246 0.626765 N\n0.413642 0.420754 0.373235 N\n0.661950 0.187458 0.637404 F\n0.338050 0.812542 0.362596 F\n0.812542 0.338050 0.862596 F\n0.187458 0.661950 0.137404 F\n0.676362 0.802048 0.621000 F\n0.323638 0.197952 0.379000 F\n0.197952 0.323638 0.879000 F\n0.802048 0.676362 0.121000 F\n0.432639 0.364277 0.619346 F\n0.567361 0.635723 0.380654 F\n0.635723 0.567361 0.880654 F\n0.364277 0.432639 0.119346 F\n0.993593 0.006407 0.750000 F\n0.006407 0.993593 0.250000 F\n0.273832 0.915427 0.837999 F\n0.726168 0.084573 0.162001 F\n0.084573 0.726168 0.662001 F\n0.915427 0.273832 0.337999 F\n0.834028 0.018823 0.636496 F\n0.165972 0.981177 0.363504 F\n0.981177 0.165972 0.863504 F\n0.018823 0.834028 0.136496 F\n0.361287 0.120476 0.844965 F\n0.638713 0.879525 0.155035 F\n0.879524 0.638713 0.655035 F\n0.120476 0.361287 0.344965 F\n0.258567 0.956663 0.600930 F\n0.741433 0.043337 0.399070 F\n0.043337 0.741433 0.899070 F\n0.956663 0.258567 0.100930 F\n",
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],
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"density": 2.1177017356997196,
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"formula_full": "B6 C36 Br6 N6 F30",
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{
"id": "mp-1227722",
"created_at": "2022-09-04T14:39:12.272940Z",
"structure_string": "Ba1 Sr4 Cl10\n1.0\n20.611072 -2.524688 0.000000\n20.611072 2.524688 0.000000\n20.301818 0.000000 4.361940\nBa Sr Cl\n1 4 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.598497 0.598497 0.598497 Sr\n0.199950 0.199950 0.199950 Sr\n0.800050 0.800050 0.800050 Sr\n0.401503 0.401503 0.401503 Sr\n0.052216 0.052216 0.052216 Cl\n0.850035 0.850035 0.850035 Cl\n0.450478 0.450478 0.450478 Cl\n0.647898 0.647898 0.647898 Cl\n0.249342 0.249342 0.249342 Cl\n0.352102 0.352102 0.352102 Cl\n0.149965 0.149965 0.149965 Cl\n0.750658 0.750658 0.750658 Cl\n0.947784 0.947784 0.947784 Cl\n0.549522 0.549522 0.549522 Cl\n",
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{
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"structure_string": "Mn6 F18\n1.0\n4.265849 -7.388667 0.000000\n4.265849 7.388667 0.000000\n0.000000 0.000000 4.654002\nMn F\n6 18\ndirect\n0.666684 0.666684 0.000000 Mn\n0.000000 0.664822 0.500000 Mn\n0.335178 0.335178 0.500000 Mn\n0.000000 0.333316 0.000000 Mn\n0.333316 0.000000 0.000000 Mn\n0.664822 0.000000 0.500000 Mn\n0.119452 0.876122 0.257691 F\n0.880548 0.756669 0.742309 F\n0.217558 0.790504 0.759623 F\n0.782442 0.572946 0.240377 F\n0.455997 0.907109 0.253715 F\n0.544003 0.451112 0.746285 F\n0.092891 0.548888 0.253715 F\n0.907109 0.455997 0.746285 F\n0.756669 0.880548 0.257691 F\n0.243331 0.123878 0.742309 F\n0.572946 0.782442 0.759623 F\n0.427054 0.209496 0.240377 F\n0.209496 0.427054 0.759623 F\n0.790504 0.217558 0.240377 F\n0.548888 0.092891 0.746285 F\n0.451112 0.544003 0.253715 F\n0.123878 0.243331 0.257691 F\n0.876122 0.119452 0.742309 F\n",
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{
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{
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{
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