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{
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"structure_string": "Ba1 La8 Co1 Si6 O26\n1.0\n4.906477 -8.498267 0.000000\n4.906477 8.498267 0.000000\n0.000000 0.000000 7.238023\nBa La Co Si O\n1 8 1 6 26\ndirect\n0.333333 0.666667 0.567741 Ba\n0.241410 0.231867 0.818825 La\n0.990457 0.758590 0.818825 La\n0.768133 0.009543 0.818825 La\n0.758161 0.766923 0.314671 La\n0.008762 0.241839 0.314671 La\n0.233077 0.991238 0.314671 La\n0.666667 0.333333 0.557062 La\n0.333333 0.666667 0.066559 La\n0.666667 0.333333 0.038498 Co\n0.019147 0.397216 0.827288 Si\n0.378069 0.980853 0.827288 Si\n0.602784 0.621931 0.827288 Si\n0.964141 0.597224 0.305359 Si\n0.633083 0.035859 0.305359 Si\n0.402776 0.366917 0.305359 Si\n0.906773 0.645798 0.499359 O\n0.739024 0.093227 0.499359 O\n0.354202 0.260976 0.499359 O\n0.088706 0.342400 0.002544 O\n0.253694 0.911294 0.002544 O\n0.657600 0.746306 0.002544 O\n0.112985 0.591032 0.832807 O\n0.478047 0.887015 0.832807 O\n0.408968 0.521953 0.832807 O\n0.866049 0.403543 0.295097 O\n0.537494 0.133951 0.295097 O\n0.596457 0.462506 0.295097 O\n0.826155 0.320843 0.833472 O\n0.494688 0.173845 0.833472 O\n0.679157 0.505312 0.833472 O\n0.155963 0.674110 0.298965 O\n0.518148 0.844037 0.298965 O\n0.325890 0.481852 0.298965 O\n0.071986 0.333397 0.643174 O\n0.261411 0.928014 0.643174 O\n0.666603 0.738589 0.643174 O\n0.915761 0.678994 0.137860 O\n0.763234 0.084239 0.137860 O\n0.321006 0.236766 0.137860 O\n0.000000 0.000000 0.822196 O\n0.000000 0.000000 0.325724 O\n",
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{
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"structure_string": "Li6 Mn3 V3 P6 O24 F6\n1.0\n5.229687 0.000000 0.000000\n1.789412 10.262150 0.000000\n1.271585 1.882581 10.269159\nLi Mn V P O F\n6 3 3 6 24 6\ndirect\n0.995790 0.919619 0.731092 Li\n0.668674 0.413776 0.601285 Li\n0.334781 0.746036 0.934461 Li\n0.666531 0.253219 0.065449 Li\n0.332627 0.587712 0.397908 Li\n0.003115 0.079902 0.268963 Li\n0.501841 0.999836 0.499174 Mn\n0.668610 0.333355 0.332686 Mn\n0.166435 0.333361 0.833498 Mn\n0.996940 0.998951 0.001423 V\n0.831753 0.667540 0.167150 V\n0.333376 0.666847 0.666233 V\n0.816202 0.627477 0.865612 P\n0.850509 0.705562 0.467807 P\n0.481030 0.961935 0.200310 P\n0.514190 0.038656 0.800586 P\n0.149856 0.293793 0.531233 P\n0.187169 0.372774 0.134526 P\n0.740967 0.974894 0.886596 O\n0.974395 0.677734 0.332056 O\n0.885453 0.477326 0.866769 O\n0.780968 0.854882 0.467708 O\n0.921734 0.359242 0.444713 O\n0.944729 0.299137 0.183076 O\n0.591557 0.691404 0.778668 O\n0.610131 0.631805 0.514582 O\n0.692913 0.656578 0.000911 O\n0.547615 0.813579 0.200437 O\n0.635989 0.007302 0.665097 O\n0.274668 0.964844 0.849986 O\n0.721411 0.035418 0.151420 O\n0.360574 0.992778 0.336230 O\n0.446494 0.188509 0.799639 O\n0.306093 0.339846 0.999213 O\n0.390815 0.368412 0.481805 O\n0.414348 0.307398 0.221521 O\n0.057268 0.700531 0.818794 O\n0.075383 0.641232 0.554647 O\n0.219368 0.144894 0.533224 O\n0.119720 0.521031 0.132981 O\n0.029715 0.326385 0.666567 O\n0.254731 0.025483 0.114070 O\n0.926193 0.193840 0.940013 F\n0.748412 0.131389 0.395759 F\n0.596021 0.540045 0.267534 F\n0.407967 0.471338 0.726622 F\n0.258506 0.861735 0.606829 F\n0.066437 0.800665 0.063135 F\n",
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{
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"structure_string": "Bi17 W3 O33\n1.0\n10.191631 0.000000 0.000000\n-4.099490 9.572544 0.000000\n-2.532883 -4.677530 8.957959\nBi W O\n17 3 33\ndirect\n0.178317 0.399625 0.607767 Bi\n0.312607 0.104293 0.413452 Bi\n0.031569 0.326395 0.903764 Bi\n0.559992 0.853556 0.905090 Bi\n0.115221 0.685997 0.790451 Bi\n0.845145 0.949104 0.315772 Bi\n0.619455 0.220266 0.826619 Bi\n0.373193 0.481609 0.300541 Bi\n0.905008 0.283727 0.209217 Bi\n0.651781 0.547213 0.702101 Bi\n0.124214 0.024266 0.720366 Bi\n0.421942 0.805577 0.188925 Bi\n0.464187 0.158467 0.103794 Bi\n0.939070 0.630798 0.075097 Bi\n0.707831 0.906411 0.601861 Bi\n0.726158 0.244806 0.491877 Bi\n0.790750 0.587474 0.408952 Bi\n0.225385 0.734719 0.483598 W\n0.031332 0.983761 0.014664 W\n0.530340 0.507180 0.004710 W\n0.133121 0.508365 0.421883 O\n0.111031 0.259046 0.730643 O\n0.442073 0.555659 0.863440 O\n0.105991 0.925729 0.162104 O\n0.368263 0.785993 0.673178 O\n0.408462 0.555102 0.126794 O\n0.629073 0.879978 0.137367 O\n0.875029 0.010729 0.062767 O\n0.301210 0.961768 0.525853 O\n0.085942 0.760398 0.592517 O\n0.554378 0.280084 0.592481 O\n0.362789 0.819428 0.961461 O\n0.625996 0.100451 0.990966 O\n0.848794 0.375366 0.027518 O\n0.888614 0.893172 0.528651 O\n0.617199 0.648330 0.505261 O\n0.081895 0.567810 0.950949 O\n0.452321 0.281850 0.947523 O\n0.371343 0.735204 0.396849 O\n0.939749 0.208502 0.406165 O\n0.178300 0.959839 0.916028 O\n0.665727 0.944406 0.403140 O\n0.667402 0.471422 0.889920 O\n0.744537 0.322388 0.294056 O\n0.048861 0.669101 0.306137 O\n0.465243 0.071076 0.302594 O\n0.959464 0.022993 0.830607 O\n0.726230 0.645429 0.176926 O\n0.529300 0.397442 0.267099 O\n0.191033 0.198076 0.136825 O\n0.799936 0.212159 0.725049 O\n0.804913 0.511414 0.595286 O\n0.887282 0.751043 0.883338 O\n",
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{
"id": "mp-568872",
"created_at": "2022-09-04T14:42:10.466959Z",
"structure_string": "In2 Si4 As2 H48 C16\n1.0\n9.545532 0.000000 0.000000\n4.065410 8.932311 0.000000\n1.506493 1.646178 9.847368\nIn Si As H C\n2 4 2 48 16\ndirect\n0.545842 0.654708 0.572002 In\n0.454158 0.345292 0.427998 In\n0.687333 0.621057 0.156723 Si\n0.250636 0.818325 0.253605 Si\n0.749364 0.181675 0.746395 Si\n0.312667 0.378943 0.843277 Si\n0.514292 0.383147 0.673689 As\n0.485708 0.616853 0.326311 As\n0.867506 0.523579 0.531353 H\n0.839552 0.900763 0.803949 H\n0.369325 0.957183 0.585864 H\n0.278276 0.350084 0.095038 H\n0.814081 0.613597 0.678003 H\n0.357886 0.011490 0.139631 H\n0.157454 0.221405 0.907456 H\n0.694762 0.974687 0.685648 H\n0.721724 0.649916 0.904962 H\n0.620456 0.148785 0.246836 H\n0.160448 0.099237 0.196051 H\n0.786294 0.764910 0.269283 H\n0.842546 0.778595 0.092544 H\n0.213706 0.235090 0.730717 H\n0.348366 0.109310 0.849844 H\n0.630675 0.042817 0.414136 H\n0.174098 0.661797 0.817791 H\n0.803523 0.724411 0.512922 H\n0.821993 0.318415 0.890048 H\n0.408885 0.439692 0.033357 H\n0.185919 0.386403 0.321997 H\n0.082777 0.709243 0.413353 H\n0.013518 0.091216 0.632958 H\n0.077757 0.881580 0.069515 H\n0.986482 0.908784 0.367042 H\n0.651634 0.890690 0.150156 H\n0.752915 0.143443 0.357060 H\n0.272712 0.793165 0.006735 H\n0.126568 0.832944 0.489975 H\n0.642114 0.988510 0.860369 H\n0.825902 0.338203 0.182209 H\n0.528553 0.759730 0.956139 H\n0.896522 0.412263 0.291848 H\n0.917223 0.290757 0.586647 H\n0.379544 0.851215 0.753164 H\n0.178007 0.681585 0.109952 H\n0.132494 0.476421 0.468647 H\n0.471447 0.240270 0.043861 H\n0.247085 0.856557 0.642940 H\n0.103478 0.587737 0.708152 H\n0.873432 0.167056 0.510025 H\n0.047149 0.568970 0.884602 H\n0.922243 0.118420 0.930485 H\n0.305238 0.025313 0.314352 H\n0.591115 0.560308 0.966643 H\n0.196477 0.275589 0.487078 H\n0.727288 0.206835 0.993265 H\n0.952851 0.431030 0.115398 H\n0.786986 0.624502 0.573343 C\n0.271323 0.005598 0.223072 C\n0.098001 0.816760 0.394644 C\n0.809401 0.209748 0.905210 C\n0.637510 0.146799 0.352521 C\n0.362490 0.853201 0.647479 C\n0.144148 0.567319 0.809579 C\n0.728677 0.994402 0.776928 C\n0.253050 0.221384 0.831353 C\n0.374478 0.349972 0.019637 C\n0.746950 0.778616 0.168647 C\n0.855852 0.432681 0.190421 C\n0.625522 0.650028 0.980363 C\n0.190599 0.790252 0.094790 C\n0.901999 0.183240 0.605356 C\n0.213014 0.375498 0.426657 C\n",
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{
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"created_at": "2022-09-04T14:40:18.919400Z",
"structure_string": "Ba8 Sr2 Fe10 O30\n1.0\n-4.010078 4.011946 -0.000517\n-4.010078 -4.011945 -0.000518\n-4.007438 0.000003 20.255382\nBa Sr Fe O\n8 2 10 30\ndirect\n0.351274 0.851313 0.297256 Ba\n0.851312 0.351274 0.297256 Ba\n0.048141 0.548146 0.903765 Ba\n0.548146 0.048140 0.903765 Ba\n0.250362 0.750361 0.499232 Ba\n0.750358 0.250360 0.499231 Ba\n0.149993 0.650024 0.700132 Ba\n0.650024 0.149993 0.700132 Ba\n0.449955 0.950096 0.099940 Sr\n0.950096 0.449957 0.099940 Sr\n0.401610 0.401609 0.196659 Fe\n0.901264 0.901275 0.197199 Fe\n0.299564 0.299566 0.400795 Fe\n0.099930 0.099929 0.800489 Fe\n0.597157 0.597158 0.805424 Fe\n0.200369 0.200381 0.599506 Fe\n0.700207 0.700205 0.600158 Fe\n0.498992 0.498988 0.002199 Fe\n0.998387 0.998390 0.003293 Fe\n0.801069 0.801051 0.397568 Fe\n0.447920 0.447923 0.103453 O\n0.950204 0.950204 0.100237 O\n0.354462 0.354465 0.290865 O\n0.853665 0.853665 0.293231 O\n0.046114 0.046115 0.907058 O\n0.547974 0.547971 0.904635 O\n0.248911 0.248911 0.501545 O\n0.748594 0.748593 0.502682 O\n0.150219 0.150220 0.699224 O\n0.653136 0.653132 0.693980 O\n0.452466 0.948313 0.599528 O\n0.948311 0.452464 0.599528 O\n0.947716 0.947714 0.599438 O\n0.452941 0.452940 0.599531 O\n0.744800 0.247686 0.007488 O\n0.247688 0.744801 0.007488 O\n0.649301 0.157083 0.193619 O\n0.157083 0.649303 0.193619 O\n0.247524 0.247523 0.007165 O\n0.745116 0.745116 0.007480 O\n0.154416 0.154419 0.193519 O\n0.652130 0.652133 0.193465 O\n0.550601 0.051740 0.397440 O\n0.051741 0.550596 0.397440 O\n0.351067 0.847217 0.801869 O\n0.847217 0.351068 0.801869 O\n0.051858 0.051859 0.397465 O\n0.550472 0.550472 0.397431 O\n0.847215 0.847215 0.801874 O\n0.350928 0.350926 0.801897 O\n",
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"structure_string": "K4 In4 Mo8 O32\n1.0\n5.986817 0.000000 0.000000\n0.000000 8.887726 0.000000\n0.000000 0.000000 15.066523\nK In Mo O\n4 4 8 32\ndirect\n0.250000 0.546901 0.376246 K\n0.250000 0.953099 0.876246 K\n0.750000 0.453099 0.623754 K\n0.750000 0.046901 0.123754 K\n0.250000 0.695473 0.105573 In\n0.750000 0.195473 0.394427 In\n0.250000 0.804527 0.605573 In\n0.750000 0.304527 0.894427 In\n0.250000 0.996877 0.283561 Mo\n0.750000 0.003123 0.716439 Mo\n0.750000 0.496877 0.216439 Mo\n0.250000 0.217466 0.538371 Mo\n0.750000 0.717466 0.961629 Mo\n0.250000 0.282534 0.038371 Mo\n0.750000 0.782534 0.461629 Mo\n0.250000 0.503123 0.783561 Mo\n0.750000 0.091249 0.825932 O\n0.250000 0.591249 0.674068 O\n0.250000 0.281679 0.647780 O\n0.506049 0.794702 0.018823 O\n0.750000 0.408751 0.325932 O\n0.501904 0.105278 0.303957 O\n0.493951 0.294702 0.481177 O\n0.250000 0.650260 0.859580 O\n0.506049 0.705298 0.518823 O\n0.493951 0.205298 0.981177 O\n0.750000 0.718321 0.352220 O\n0.250000 0.908751 0.174068 O\n0.001904 0.894722 0.696043 O\n0.006049 0.205298 0.981177 O\n0.750000 0.150260 0.640420 O\n0.998096 0.105278 0.303957 O\n0.993951 0.794702 0.018823 O\n0.750000 0.515922 0.966467 O\n0.250000 0.849740 0.359580 O\n0.750000 0.984078 0.466467 O\n0.501904 0.394722 0.803957 O\n0.498096 0.894722 0.696043 O\n0.250000 0.484078 0.033533 O\n0.001904 0.605278 0.196043 O\n0.750000 0.781679 0.852220 O\n0.250000 0.015922 0.533533 O\n0.006049 0.294702 0.481177 O\n0.498096 0.605278 0.196043 O\n0.250000 0.218321 0.147780 O\n0.993951 0.705298 0.518823 O\n0.998096 0.394722 0.803957 O\n0.750000 0.349740 0.140420 O\n",
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"total_magnetization": 0.0001836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.145000Z",
"spacegroup": 176
}
]
}