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{
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"formula_full": "Ca8 Be4 Al4 Si18 H4 O56",
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},
{
"id": "mp-1204300",
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{
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{
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{
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"structure_string": "Ba6 Li1 Nb2 Ir1 Cl2 O12\n1.0\n6.268023 -0.219060 -0.194325\n-3.323697 5.318686 0.194307\n-0.482917 0.278810 15.040217\nBa Li Nb Ir Cl O\n6 1 2 1 2 12\ndirect\n0.306865 0.693147 0.377649 Ba\n0.315636 0.684374 0.796246 Ba\n0.656875 0.343129 0.641683 Ba\n0.652619 0.347398 0.926417 Ba\n0.357249 0.642763 0.058173 Ba\n0.713122 0.286903 0.197919 Ba\n0.499584 0.500387 0.272318 Li\n0.003116 0.996897 0.814586 Nb\n0.008156 0.991807 0.185168 Nb\n0.005701 0.994312 0.004584 Ir\n0.640118 0.359879 0.409812 Cl\n0.304751 0.695257 0.582968 Cl\n0.175128 0.296374 0.911462 O\n0.334227 0.149952 0.763485 O\n0.156676 0.317717 0.250190 O\n0.850071 0.665787 0.763485 O\n0.852055 0.147957 0.745852 O\n0.820271 0.685583 0.096451 O\n0.159851 0.840077 0.251588 O\n0.314416 0.179727 0.096464 O\n0.852176 0.147822 0.077098 O\n0.703638 0.824883 0.911458 O\n0.682250 0.843297 0.250178 O\n0.156281 0.843739 0.927264 O\n",
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{
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},
{
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"structure_string": "K1 Mg1 Ni2 H3 Se2 O10\n1.0\n4.383813 3.238282 -2.395326\n4.384385 -3.238190 -2.394074\n0.789444 0.001502 -8.538737\nK Mg Ni H Se O\n1 1 2 3 2 10\ndirect\n0.483260 0.484002 0.453761 K\n0.565323 0.565545 0.766871 Mg\n0.016999 0.509805 0.977079 Ni\n0.509308 0.017288 0.977294 Ni\n0.823921 0.824209 0.732328 H\n0.183762 0.183371 0.307412 H\n0.377026 0.373798 0.168048 H\n0.889940 0.890087 0.248132 Se\n0.114146 0.114371 0.665595 Se\n0.749622 0.749917 0.480341 O\n0.038787 0.038903 0.527731 O\n0.217082 0.790388 0.190826 O\n0.789981 0.217269 0.190835 O\n0.812172 0.216180 0.817567 O\n0.215953 0.812456 0.817460 O\n0.721054 0.721346 0.858897 O\n0.277613 0.276807 0.168322 O\n0.778645 0.778640 0.154133 O\n0.330788 0.331001 0.820033 O\n",
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{
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"structure_string": "Cu8 As16 H48 C16 I8 O16\n1.0\n0.000000 -8.284843 0.000000\n-12.974638 4.142421 0.000000\n6.050972 0.000000 -17.411089\nCu As H C I O\n8 16 48 16 8 16\ndirect\n0.221859 0.737036 0.566011 Cu\n0.484823 0.262964 0.933989 Cu\n0.778141 0.262964 0.433989 Cu\n0.515177 0.737036 0.066011 Cu\n0.926012 0.569787 0.572852 Cu\n0.356225 0.430213 0.927148 Cu\n0.073988 0.430213 0.427148 Cu\n0.643775 0.569787 0.072852 Cu\n0.472047 0.684396 0.554151 As\n0.787651 0.315604 0.945849 As\n0.527953 0.315604 0.445849 As\n0.212349 0.684396 0.054151 As\n0.359904 0.478138 0.399667 As\n0.881766 0.521862 0.100333 As\n0.640096 0.521862 0.600333 As\n0.118234 0.478138 0.899667 As\n0.269427 0.918737 0.564850 As\n0.350690 0.081263 0.935150 As\n0.730573 0.081263 0.435150 As\n0.649310 0.918737 0.064850 As\n0.608186 0.129231 0.600832 As\n0.478955 0.870769 0.899168 As\n0.391814 0.870769 0.399168 As\n0.521045 0.129231 0.100832 As\n0.692498 0.849993 0.542378 H\n0.842505 0.150007 0.957622 H\n0.307502 0.150007 0.457622 H\n0.157495 0.849993 0.042378 H\n0.709417 0.843676 0.637671 H\n0.865741 0.156324 0.862329 H\n0.290583 0.156324 0.362329 H\n0.134259 0.843676 0.137671 H\n0.793997 0.758954 0.562051 H\n0.035043 0.241046 0.937949 H\n0.206003 0.241046 0.437949 H\n0.964957 0.758954 0.062051 H\n0.539325 0.521639 0.296606 H\n0.017686 0.478361 0.203394 H\n0.460675 0.478361 0.703394 H\n0.982314 0.521639 0.796606 H\n0.325194 0.438014 0.255695 H\n0.887180 0.561986 0.244305 H\n0.674806 0.561986 0.744305 H\n0.112820 0.438014 0.755695 H\n0.370450 0.580872 0.306882 H\n0.789578 0.419128 0.193118 H\n0.629550 0.419128 0.693118 H\n0.210422 0.580872 0.806882 H\n0.011615 0.981407 0.565847 H\n0.030209 0.018593 0.934153 H\n0.988385 0.018593 0.434153 H\n0.969791 0.981407 0.065847 H\n0.098881 0.008870 0.662273 H\n0.090011 0.991130 0.837727 H\n0.901119 0.991130 0.337727 H\n0.909989 0.008870 0.162273 H\n0.200446 0.095678 0.608425 H\n0.104768 0.904322 0.891575 H\n0.799554 0.904322 0.391575 H\n0.895232 0.095678 0.108425 H\n0.895625 0.217142 0.679826 H\n0.678483 0.782858 0.820174 H\n0.104375 0.782858 0.320174 H\n0.321517 0.217142 0.179826 H\n0.726390 0.204344 0.740589 H\n0.522046 0.795656 0.759411 H\n0.273610 0.795656 0.259411 H\n0.477954 0.204344 0.240589 H\n0.789051 0.086868 0.691239 H\n0.702183 0.913132 0.808761 H\n0.210949 0.913132 0.308761 H\n0.297817 0.086868 0.191239 H\n0.693777 0.797146 0.576430 C\n0.896631 0.202854 0.923570 C\n0.306223 0.202854 0.423570 C\n0.103369 0.797146 0.076430 C\n0.403511 0.507595 0.303329 C\n0.895916 0.492405 0.196671 C\n0.596489 0.492405 0.696671 C\n0.104084 0.507595 0.803329 C\n0.128358 0.011790 0.605015 C\n0.116568 0.988210 0.894985 C\n0.871642 0.988210 0.394985 C\n0.883432 0.011790 0.105015 C\n0.774268 0.162871 0.688300 C\n0.611398 0.837129 0.811700 C\n0.225732 0.837129 0.311700 C\n0.388602 0.162871 0.188300 C\n0.000563 0.611894 0.441583 I\n0.388669 0.388106 0.058417 I\n0.999437 0.388106 0.558417 I\n0.611331 0.611894 0.941583 I\n0.089294 0.732659 0.694809 I\n0.356635 0.267341 0.805191 I\n0.910706 0.267341 0.305191 I\n0.643365 0.732659 0.194809 I\n0.514009 0.607121 0.460382 O\n0.906889 0.392879 0.039618 O\n0.485991 0.392879 0.539618 O\n0.093111 0.607121 0.960382 O\n0.499309 0.393454 0.385769 O\n0.105855 0.606546 0.114231 O\n0.500691 0.606546 0.614231 O\n0.894145 0.393454 0.885769 O\n0.474065 0.005509 0.617787 O\n0.468556 0.994491 0.882213 O\n0.525935 0.994491 0.382213 O\n0.531444 0.005509 0.117787 O\n0.723262 0.057404 0.527149 O\n0.665858 0.942596 0.972851 O\n0.276738 0.942596 0.472851 O\n0.334142 0.057404 0.027149 O\n",
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],
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}
]
}