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{
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{
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"structure_string": "Fe1 H24 C6 I2 O6\n1.0\n8.435437 0.007928 0.001108\n-4.210727 7.320019 -0.027913\n0.000743 -0.027328 7.375879\nFe H C I O\n1 24 6 2 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.887019 0.224727 0.823174 H\n0.338495 0.114197 0.823855 H\n0.775947 0.662022 0.822464 H\n0.112981 0.775273 0.176826 H\n0.661505 0.885803 0.176145 H\n0.224053 0.337978 0.177536 H\n0.103294 0.436237 0.667005 H\n0.333086 0.896555 0.667948 H\n0.563105 0.666707 0.666706 H\n0.896706 0.563763 0.332995 H\n0.666914 0.103445 0.332052 H\n0.436895 0.333293 0.333294 H\n0.259163 0.425732 0.826308 H\n0.166810 0.742239 0.826531 H\n0.574921 0.833365 0.827137 H\n0.740837 0.574268 0.173692 H\n0.833190 0.257761 0.173469 H\n0.425079 0.166635 0.172863 H\n0.189568 0.283115 0.627579 H\n0.093883 0.811108 0.628880 H\n0.716296 0.905043 0.629377 H\n0.810432 0.716885 0.372421 H\n0.906117 0.188892 0.371120 H\n0.283704 0.094957 0.370623 H\n0.145460 0.346319 0.732219 C\n0.201066 0.855204 0.732982 C\n0.653517 0.798402 0.732952 C\n0.854540 0.653681 0.267781 C\n0.798934 0.144796 0.267018 C\n0.346483 0.201598 0.267048 C\n0.666457 0.332859 0.761559 I\n0.333543 0.667141 0.238441 I\n0.993289 0.204556 0.830054 O\n0.212398 0.008408 0.832957 O\n0.795425 0.787772 0.832101 O\n0.006711 0.795444 0.169946 O\n0.787602 0.991592 0.167043 O\n0.204575 0.212228 0.167899 O\n",
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},
{
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"created_at": "2022-09-04T14:44:08.420130Z",
"structure_string": "Li2 As2 H4 O2 F12\n1.0\n-3.151651 3.791881 5.366673\n3.151651 -3.791881 5.366673\n3.151651 3.791881 -5.366673\nLi As H O F\n2 2 4 2 12\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n0.677516 0.190952 0.513436 H\n0.322484 0.809048 0.486564 H\n0.177516 0.664080 0.486564 H\n0.822484 0.335920 0.513436 H\n0.750000 0.168523 0.418523 O\n0.250000 0.831477 0.581477 O\n0.532943 0.258115 0.725172 F\n0.467057 0.741885 0.274828 F\n0.032943 0.307770 0.274828 F\n0.967057 0.692230 0.725172 F\n0.949703 0.076816 0.796177 F\n0.719361 0.923184 0.872887 F\n0.449703 0.653526 0.872887 F\n0.219361 0.346474 0.796177 F\n0.050297 0.923184 0.203823 F\n0.280639 0.076816 0.127113 F\n0.550297 0.346474 0.127113 F\n0.780639 0.653526 0.203823 F\n",
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{
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"created_at": "2022-09-04T14:47:11.808073Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.803259 0.000000 0.000000\n0.798791 5.731509 0.000000\n0.121891 0.870138 7.135863\nSr H O\n2 8 6\ndirect\n0.050822 0.620655 0.277581 Sr\n0.038699 0.370492 0.764596 Sr\n0.768229 0.114729 0.173211 H\n0.189431 0.110696 0.179852 H\n0.183817 0.842715 0.636943 H\n0.707684 0.915508 0.703821 H\n0.516319 0.935861 0.390474 H\n0.614838 0.239908 0.462333 H\n0.486629 0.854112 0.884982 H\n0.587225 0.446175 0.041010 H\n0.959719 0.216750 0.130660 O\n0.973288 0.787949 0.590006 O\n0.500206 0.930541 0.255787 O\n0.519318 0.996344 0.794915 O\n0.562676 0.400773 0.493548 O\n0.424013 0.565192 0.965502 O\n",
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{
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"created_at": "2022-09-04T14:46:30.326373Z",
"structure_string": "Al8 O12\n1.0\n11.553381 0.000000 0.000000\n0.000000 3.400059 0.000000\n0.000000 1.576751 4.963148\nAl O\n8 12\ndirect\n0.662467 0.386823 0.690683 Al\n0.944527 0.160924 0.713264 Al\n0.444527 0.839076 0.786736 Al\n0.162467 0.613177 0.809317 Al\n0.837533 0.386823 0.190683 Al\n0.555473 0.160924 0.213264 Al\n0.055473 0.839076 0.286736 Al\n0.337533 0.613177 0.309317 Al\n0.614656 0.944213 0.560959 O\n0.804326 0.338391 0.541028 O\n0.498219 0.326529 0.815899 O\n0.998219 0.673471 0.684101 O\n0.114656 0.055787 0.939041 O\n0.304326 0.661609 0.958972 O\n0.695674 0.338391 0.041028 O\n0.885344 0.944213 0.060959 O\n0.001781 0.326529 0.315899 O\n0.501781 0.673471 0.184101 O\n0.195674 0.661609 0.458972 O\n0.385344 0.055787 0.439041 O\n",
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{
"id": "mp-1194541",
"created_at": "2022-09-04T14:44:15.198695Z",
"structure_string": "Ba4 Al16 O28\n1.0\n0.000000 0.000000 -4.960905\n0.000000 -10.360954 0.000000\n-13.047354 0.000000 0.000000\nBa Al O\n4 16 28\ndirect\n0.026641 0.260161 0.000000 Ba\n0.973359 0.760161 0.000000 Ba\n0.483028 0.584729 0.500000 Ba\n0.516972 0.084729 0.500000 Ba\n0.952380 0.073934 0.748782 Al\n0.952380 0.073934 0.251218 Al\n0.047620 0.573934 0.251218 Al\n0.047620 0.573934 0.748782 Al\n0.448573 0.260745 0.751353 Al\n0.448573 0.260745 0.248647 Al\n0.551427 0.760745 0.248647 Al\n0.551427 0.760745 0.751353 Al\n0.953273 0.324609 0.618257 Al\n0.953273 0.324609 0.381743 Al\n0.046727 0.824609 0.381743 Al\n0.046727 0.824609 0.618257 Al\n0.459191 0.010745 0.881586 Al\n0.459191 0.010745 0.118414 Al\n0.540809 0.510745 0.118414 Al\n0.540809 0.510745 0.881586 Al\n0.542505 0.078197 0.000000 O\n0.457495 0.578197 0.000000 O\n0.038474 0.256499 0.500000 O\n0.961526 0.756499 0.500000 O\n0.107965 0.025285 0.862383 O\n0.107965 0.025285 0.137617 O\n0.892035 0.525285 0.137617 O\n0.892035 0.525285 0.862383 O\n0.608510 0.109265 0.782402 O\n0.608510 0.109265 0.217598 O\n0.391490 0.609265 0.217598 O\n0.391490 0.609265 0.782402 O\n0.602589 0.305539 0.636409 O\n0.602589 0.305539 0.363591 O\n0.397411 0.805539 0.363591 O\n0.397411 0.805539 0.636409 O\n0.951980 0.985898 0.634472 O\n0.951980 0.985898 0.365528 O\n0.048020 0.485898 0.365528 O\n0.048020 0.485898 0.634472 O\n0.439108 0.349960 0.865076 O\n0.439108 0.349960 0.134924 O\n0.560892 0.849960 0.134924 O\n0.560892 0.849960 0.865076 O\n0.104896 0.226685 0.717796 O\n0.104896 0.226685 0.282204 O\n0.895104 0.726685 0.282204 O\n0.895104 0.726685 0.717796 O\n",
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{
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"structure_string": "Co1 H3 C6 N6\n1.0\n3.243075 -5.617171 0.000000\n3.243075 5.617171 0.000000\n0.000000 0.000000 5.591487\nCo H C N\n1 3 6 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.235112 0.235112 0.804886 C\n0.235112 0.000000 0.195114 C\n0.000000 0.764888 0.804886 C\n0.000000 0.235112 0.195114 C\n0.764888 0.764888 0.195114 C\n0.764888 0.000000 0.804886 C\n0.000000 0.622950 0.676994 N\n0.000000 0.377050 0.323006 N\n0.377050 0.000000 0.323006 N\n0.622950 0.000000 0.676994 N\n0.622950 0.622950 0.323006 N\n0.377050 0.377050 0.676994 N\n",
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{
"id": "mp-1195213",
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"structure_string": "Bi4 S6 O24\n1.0\n3.431577 8.782572 0.000000\n-3.431577 8.782572 0.000000\n0.000000 1.790838 8.156572\nBi S O\n4 6 24\ndirect\n0.548884 0.751579 0.449860 Bi\n0.248421 0.451116 0.050140 Bi\n0.451116 0.248421 0.550140 Bi\n0.751579 0.548884 0.949860 Bi\n0.096701 0.275921 0.308814 S\n0.724079 0.903299 0.191186 S\n0.903299 0.724079 0.691186 S\n0.275921 0.096701 0.808814 S\n0.574543 0.425457 0.250000 S\n0.425457 0.574543 0.750000 S\n0.908727 0.391679 0.425140 O\n0.608321 0.091273 0.074860 O\n0.091273 0.608321 0.574860 O\n0.391679 0.908727 0.925140 O\n0.217821 0.321304 0.322994 O\n0.678696 0.782179 0.177006 O\n0.782179 0.678696 0.677006 O\n0.321304 0.217821 0.822994 O\n0.043211 0.346613 0.132480 O\n0.653387 0.956789 0.367520 O\n0.956789 0.653387 0.867520 O\n0.346613 0.043211 0.632480 O\n0.230753 0.047895 0.336335 O\n0.952105 0.769247 0.163665 O\n0.769247 0.952105 0.663665 O\n0.047895 0.230753 0.836335 O\n0.519734 0.620693 0.252595 O\n0.379307 0.480266 0.247405 O\n0.480266 0.379307 0.747405 O\n0.620693 0.519734 0.752595 O\n0.672785 0.285235 0.402112 O\n0.714765 0.327215 0.097888 O\n0.327215 0.714765 0.597888 O\n0.285235 0.672785 0.902112 O\n",
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{
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"created_at": "2022-09-04T14:43:11.430646Z",
"structure_string": "Na2 Li1 Tm1 Cl6\n1.0\n0.000000 5.095169 5.095169\n5.095169 0.000000 5.095169\n5.095169 5.095169 0.000000\nNa Li Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tm\n0.747116 0.252884 0.252884 Cl\n0.252884 0.252884 0.747116 Cl\n0.252884 0.747116 0.747116 Cl\n0.252884 0.747116 0.252884 Cl\n0.747116 0.252884 0.747116 Cl\n0.747116 0.747116 0.252884 Cl\n",
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"structure_string": "Li2 Mn4 P10 O30\n1.0\n13.185954 0.000000 0.000000\n0.000000 5.174124 0.000000\n0.000000 2.035302 8.502647\nLi Mn P O\n2 4 10 30\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.902634 0.869248 0.154915 Mn\n0.597366 0.869248 0.154915 Mn\n0.402634 0.130752 0.845085 Mn\n0.097366 0.130752 0.845085 Mn\n0.361466 0.971676 0.500406 P\n0.138534 0.971676 0.500406 P\n0.929620 0.656804 0.812621 P\n0.570380 0.656804 0.812621 P\n0.250000 0.559345 0.980654 P\n0.750000 0.440655 0.019346 P\n0.429620 0.343196 0.187379 P\n0.070380 0.343196 0.187379 P\n0.638534 0.028324 0.499594 P\n0.861466 0.028324 0.499594 P\n0.750000 0.953646 0.453589 O\n0.963748 0.833732 0.920086 O\n0.536252 0.833732 0.920086 O\n0.250000 0.833651 0.874672 O\n0.866082 0.825368 0.672769 O\n0.633918 0.825368 0.672769 O\n0.572544 0.919123 0.386839 O\n0.927456 0.919123 0.386839 O\n0.370939 0.693257 0.485574 O\n0.129061 0.693257 0.485574 O\n0.845042 0.452154 0.904131 O\n0.654958 0.452154 0.904131 O\n0.008539 0.489550 0.758308 O\n0.491461 0.489550 0.758308 O\n0.750000 0.680740 0.092045 O\n0.250000 0.319260 0.907955 O\n0.508539 0.510450 0.241692 O\n0.991461 0.510450 0.241692 O\n0.345042 0.547846 0.095869 O\n0.154958 0.547846 0.095869 O\n0.870939 0.306743 0.514426 O\n0.629061 0.306743 0.514426 O\n0.427456 0.080877 0.613161 O\n0.072544 0.080877 0.613161 O\n0.366082 0.174632 0.327231 O\n0.133918 0.174632 0.327231 O\n0.750000 0.166349 0.125328 O\n0.463748 0.166268 0.079914 O\n0.036252 0.166268 0.079914 O\n0.250000 0.046354 0.546411 O\n",
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}
]
}