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{
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"results": [
{
"id": "mp-24421",
"created_at": "2022-09-04T14:48:29.594021Z",
"structure_string": "Ba2 H4 Cl4 O14\n1.0\n4.015932 6.439518 0.000000\n-4.015932 6.439518 0.000000\n0.000000 6.061389 6.731198\nBa H Cl O\n2 4 4 14\ndirect\n0.144810 0.855190 0.250000 Ba\n0.855190 0.144810 0.750000 Ba\n0.693832 0.222180 0.365701 H\n0.777820 0.306168 0.134299 H\n0.306168 0.777820 0.634299 H\n0.222180 0.693832 0.865701 H\n0.323856 0.286932 0.189055 Cl\n0.713068 0.676144 0.310945 Cl\n0.676144 0.713068 0.810945 Cl\n0.286932 0.323856 0.689055 Cl\n0.807399 0.192601 0.250000 O\n0.192601 0.807399 0.750000 O\n0.222566 0.396695 0.529288 O\n0.603305 0.777434 0.970712 O\n0.777434 0.603305 0.470712 O\n0.396694 0.222566 0.029288 O\n0.528780 0.242572 0.611351 O\n0.757428 0.471220 0.888649 O\n0.471220 0.757428 0.388649 O\n0.242572 0.528780 0.111351 O\n0.177981 0.130665 0.860054 O\n0.869335 0.822019 0.639946 O\n0.822019 0.869335 0.139946 O\n0.130665 0.177981 0.360054 O\n",
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{
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"structure_string": "Ba4 H8 Cl8 O4\n1.0\n4.651371 0.000000 0.000000\n0.000000 9.092942 0.000000\n0.000000 0.000000 11.136728\nBa H Cl O\n4 8 8 4\ndirect\n0.250000 0.393479 0.687113 Ba\n0.250000 0.106521 0.187113 Ba\n0.750000 0.606521 0.312887 Ba\n0.750000 0.893479 0.812887 Ba\n0.750000 0.335578 0.901801 H\n0.750000 0.164422 0.401801 H\n0.250000 0.664422 0.098199 H\n0.250000 0.835578 0.598199 H\n0.750000 0.499502 0.869293 H\n0.750000 0.000498 0.369293 H\n0.250000 0.500498 0.130707 H\n0.250000 0.999502 0.630707 H\n0.750000 0.622691 0.602066 Cl\n0.750000 0.877309 0.102066 Cl\n0.250000 0.377309 0.397934 Cl\n0.250000 0.122691 0.897934 Cl\n0.750000 0.162893 0.618369 Cl\n0.750000 0.337107 0.118369 Cl\n0.250000 0.837107 0.381631 Cl\n0.250000 0.662893 0.881631 Cl\n0.750000 0.401662 0.832360 O\n0.750000 0.098338 0.332360 O\n0.250000 0.598338 0.167640 O\n0.250000 0.901662 0.667640 O\n",
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"formula_full": "Ba4 H8 Cl8 O4",
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{
"id": "mp-554761",
"created_at": "2022-09-04T14:43:23.046482Z",
"structure_string": "Ba4 H8 C16 S16 N8 O36 F48\n1.0\n22.845706 0.000000 0.000000\n0.000000 8.782340 0.000000\n0.000000 8.777530 9.991587\nBa H C S N O F\n4 8 16 16 8 36 48\ndirect\n0.749392 0.290959 0.841121 Ba\n0.250608 0.709041 0.158879 Ba\n0.750608 0.290959 0.341121 Ba\n0.249392 0.709041 0.658879 Ba\n0.770266 0.700470 0.508363 H\n0.270266 0.299530 0.991637 H\n0.257743 0.459759 0.494030 H\n0.757743 0.540241 0.005970 H\n0.242257 0.459759 0.994030 H\n0.229734 0.299530 0.491637 H\n0.742257 0.540241 0.505970 H\n0.729734 0.700470 0.008363 H\n0.077426 0.718845 0.928425 C\n0.421337 0.163252 0.921603 C\n0.577426 0.281155 0.571575 C\n0.590877 0.146817 0.213714 C\n0.587255 0.698192 0.709784 C\n0.909123 0.146817 0.713714 C\n0.412745 0.301808 0.290216 C\n0.078663 0.163252 0.421603 C\n0.922574 0.281155 0.071575 C\n0.921337 0.836748 0.578397 C\n0.422574 0.718845 0.428425 C\n0.090877 0.853183 0.286286 C\n0.912745 0.698192 0.209784 C\n0.087255 0.301808 0.790216 C\n0.409123 0.853183 0.786286 C\n0.578663 0.836748 0.078397 C\n0.837236 0.084010 0.678928 S\n0.153901 0.206017 0.349698 S\n0.340278 0.173235 0.322859 S\n0.662764 0.084010 0.178928 S\n0.847878 0.174938 0.147375 S\n0.159722 0.173235 0.822859 S\n0.162764 0.915990 0.321072 S\n0.653901 0.793983 0.150302 S\n0.840278 0.826765 0.177141 S\n0.337236 0.915990 0.821072 S\n0.347878 0.825062 0.352625 S\n0.652122 0.174938 0.647375 S\n0.346099 0.206017 0.849698 S\n0.152122 0.825062 0.852625 S\n0.659722 0.826765 0.677141 S\n0.846099 0.793983 0.650302 S\n0.651533 0.861739 0.234470 N\n0.848467 0.861739 0.734470 N\n0.348467 0.138261 0.765530 N\n0.351536 0.061694 0.267342 N\n0.148464 0.061694 0.767342 N\n0.151533 0.138261 0.265530 N\n0.851536 0.938306 0.232658 N\n0.648464 0.938306 0.732658 N\n0.247401 0.433956 0.435366 O\n0.808080 0.283967 0.033604 O\n0.691920 0.283967 0.533604 O\n0.807558 0.912424 0.534092 O\n0.672220 0.239670 0.035511 O\n0.308080 0.716033 0.466396 O\n0.670075 0.957484 0.534157 O\n0.692442 0.912424 0.034092 O\n0.252599 0.433956 0.935366 O\n0.300427 0.342152 0.233888 O\n0.199573 0.342152 0.733888 O\n0.829925 0.957484 0.034157 O\n0.170075 0.042516 0.965843 O\n0.341668 0.789557 0.261188 O\n0.172220 0.760330 0.464489 O\n0.839325 0.575979 0.741964 O\n0.841668 0.210443 0.238812 O\n0.296589 0.924601 0.733489 O\n0.327780 0.760330 0.964489 O\n0.699573 0.657848 0.766112 O\n0.192442 0.087576 0.465908 O\n0.747401 0.566044 0.064634 O\n0.800427 0.657848 0.266112 O\n0.703411 0.075399 0.266511 O\n0.191920 0.716033 0.966396 O\n0.658332 0.210443 0.738812 O\n0.752599 0.566044 0.564634 O\n0.158332 0.789557 0.761188 O\n0.827780 0.239670 0.535511 O\n0.160675 0.424021 0.258036 O\n0.203411 0.924601 0.233489 O\n0.329925 0.042516 0.465843 O\n0.339325 0.424021 0.758036 O\n0.660675 0.575979 0.241964 O\n0.307558 0.087576 0.965908 O\n0.796589 0.075399 0.766511 O\n0.538493 0.737496 0.177263 F\n0.593898 0.570631 0.686646 F\n0.923074 0.480650 0.006392 F\n0.566436 0.037043 0.991432 F\n0.951313 0.178685 0.630902 F\n0.923016 0.767638 0.513246 F\n0.423016 0.232362 0.986754 F\n0.934961 0.255780 0.984187 F\n0.401504 0.682133 0.806239 F\n0.070896 0.409064 0.661968 F\n0.545315 0.834761 0.628287 F\n0.933564 0.037043 0.491432 F\n0.963503 0.186051 0.168802 F\n0.066436 0.962957 0.508568 F\n0.076984 0.232362 0.486754 F\n0.536497 0.186051 0.668802 F\n0.425430 0.004541 0.658597 F\n0.429104 0.409064 0.161968 F\n0.423074 0.519350 0.493608 F\n0.961507 0.737496 0.677263 F\n0.576926 0.480650 0.506392 F\n0.901504 0.317867 0.693761 F\n0.576984 0.767638 0.013246 F\n0.925430 0.995459 0.841403 F\n0.098496 0.682133 0.306239 F\n0.406102 0.429369 0.313354 F\n0.548687 0.178685 0.130902 F\n0.036497 0.813949 0.831198 F\n0.454685 0.165239 0.371713 F\n0.433564 0.962957 0.008568 F\n0.434961 0.744220 0.515813 F\n0.570896 0.590936 0.838032 F\n0.906102 0.570631 0.186646 F\n0.074570 0.004541 0.158597 F\n0.048687 0.821315 0.369098 F\n0.451313 0.821315 0.869098 F\n0.565039 0.255780 0.484187 F\n0.929104 0.590936 0.338032 F\n0.045315 0.165239 0.871713 F\n0.065039 0.744220 0.015813 F\n0.463503 0.813949 0.331198 F\n0.574570 0.995459 0.341403 F\n0.954685 0.834761 0.128287 F\n0.093898 0.429369 0.813354 F\n0.598496 0.317867 0.193761 F\n0.076926 0.519350 0.993608 F\n0.461507 0.262504 0.822737 F\n0.038493 0.262504 0.322737 F\n",
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"formula_full": "Ba4 H8 C16 S16 N8 O36 F48",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:46:38.743633Z",
"structure_string": "Ba2 H4 C4 O10\n1.0\n4.006445 5.163362 0.000000\n-4.006445 5.163362 0.000000\n0.000000 3.733520 5.959650\nBa H C O\n2 4 4 10\ndirect\n0.216728 0.216728 0.681831 Ba\n0.783272 0.783272 0.318169 Ba\n0.349479 0.556729 0.820759 H\n0.556729 0.349479 0.820759 H\n0.650521 0.443271 0.179241 H\n0.443271 0.650521 0.179241 H\n0.958508 0.762635 0.760550 C\n0.762635 0.958508 0.760550 C\n0.041492 0.237365 0.239450 C\n0.237365 0.041491 0.239450 C\n0.079653 0.744394 0.869483 O\n0.744394 0.079653 0.869483 O\n0.920347 0.255606 0.130517 O\n0.255606 0.920347 0.130517 O\n0.980312 0.641753 0.650928 O\n0.641753 0.980312 0.650928 O\n0.019688 0.358247 0.349072 O\n0.358247 0.019688 0.349072 O\n0.476709 0.476709 0.730986 O\n0.523291 0.523291 0.269014 O\n",
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{
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"structure_string": "Ba2 H4 Br4 O14\n1.0\n-4.632890 -4.168107 -4.666689\n4.632890 -4.168107 4.666689\n-4.540203 4.168107 5.106491\nBa H Br O\n2 4 4 14\ndirect\n0.606052 0.856052 0.250000 Ba\n0.393948 0.143948 0.750000 Ba\n0.070724 0.291171 0.365156 H\n0.073985 0.794433 0.865156 H\n0.929276 0.708829 0.634844 H\n0.926015 0.205567 0.134844 H\n0.979470 0.670146 0.193278 Br\n0.523132 0.713808 0.693278 Br\n0.020530 0.329854 0.806722 Br\n0.476868 0.286192 0.306722 Br\n0.930368 0.180368 0.250000 O\n0.069632 0.819632 0.750000 O\n0.735579 0.597339 0.020102 O\n0.422764 0.784523 0.520102 O\n0.264421 0.402661 0.979898 O\n0.577236 0.215477 0.479898 O\n0.151697 0.758360 0.102456 O\n0.344097 0.450760 0.602456 O\n0.848303 0.241640 0.897544 O\n0.655903 0.549240 0.397544 O\n0.047189 0.886018 0.374874 O\n0.488856 0.827686 0.874874 O\n0.952811 0.113982 0.625126 O\n0.511144 0.172314 0.125126 O\n",
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{
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{
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"structure_string": "Ba2 H4\n1.0\n2.227943 -3.858911 0.000000\n2.227943 3.858911 0.000000\n0.000000 0.000000 6.060413\nBa H\n2 4\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.666667 0.333333 0.250000 H\n0.333333 0.666667 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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{
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