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{
"id": "mp-1102869",
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"structure_string": "Zr4 Si4 Ir4\n1.0\n3.989546 0.000000 0.000000\n0.000000 6.591333 0.000000\n0.000000 0.000000 7.450976\nZr Si Ir\n4 4 4\ndirect\n0.250000 0.018583 0.317935 Zr\n0.250000 0.518583 0.182065 Zr\n0.750000 0.981417 0.682065 Zr\n0.750000 0.481417 0.817935 Zr\n0.250000 0.278603 0.618406 Si\n0.250000 0.778603 0.881594 Si\n0.750000 0.721397 0.381594 Si\n0.750000 0.221397 0.118406 Si\n0.250000 0.151975 0.934953 Ir\n0.250000 0.651975 0.565047 Ir\n0.750000 0.848025 0.065047 Ir\n0.750000 0.348025 0.434953 Ir\n",
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{
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{
"id": "mp-682364",
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"structure_string": "Rb2 Zn2 B2 P4 O16\n1.0\n7.546809 0.000000 0.000000\n-1.838338 7.536150 0.000000\n-1.608928 -4.318065 6.490317\nRb Zn B P O\n2 2 2 4 16\ndirect\n0.275003 0.244697 0.416920 Rb\n0.724997 0.755303 0.583080 Rb\n0.198429 0.553231 0.741083 Zn\n0.801571 0.446769 0.258917 Zn\n0.297733 0.004268 0.069314 B\n0.702267 0.995732 0.930686 B\n0.034753 0.834520 0.275396 P\n0.449688 0.697188 0.081421 P\n0.550312 0.302812 0.918579 P\n0.965247 0.165480 0.724604 P\n0.199806 0.982336 0.203389 O\n0.261907 0.604870 0.975683 O\n0.084405 0.800545 0.495715 O\n0.981432 0.351627 0.749634 O\n0.800194 0.017664 0.796611 O\n0.447135 0.167691 0.077770 O\n0.595788 0.177840 0.837277 O\n0.162025 0.048441 0.856495 O\n0.837975 0.951559 0.143505 O\n0.409292 0.460495 0.724405 O\n0.915595 0.199455 0.504285 O\n0.018568 0.648373 0.250366 O\n0.552865 0.832309 0.922230 O\n0.590708 0.539505 0.275595 O\n0.404212 0.822160 0.162723 O\n0.738093 0.395130 0.024317 O\n",
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"formula_full": "Rb2 Zn2 B2 P4 O16",
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"spacegroup": 2
},
{
"id": "mp-755632",
"created_at": "2022-09-04T14:40:15.762796Z",
"structure_string": "Li4 Fe4 F16\n1.0\n4.855453 0.000000 0.000000\n0.000000 5.707593 0.000000\n0.000000 0.893424 10.137622\nLi Fe F\n4 4 16\ndirect\n0.460199 0.577713 0.628318 Li\n0.039801 0.577713 0.128318 Li\n0.960199 0.422287 0.871682 Li\n0.539801 0.422287 0.371682 Li\n0.467396 0.863657 0.874501 Fe\n0.032604 0.863657 0.374501 Fe\n0.967396 0.136343 0.625499 Fe\n0.532604 0.136343 0.125499 Fe\n0.262228 0.917687 0.706141 F\n0.237772 0.917687 0.206141 F\n0.821912 0.851760 0.544148 F\n0.678088 0.851760 0.044148 F\n0.179509 0.667776 0.949495 F\n0.320491 0.667776 0.449495 F\n0.646176 0.608826 0.799973 F\n0.853824 0.608826 0.299973 F\n0.146176 0.391174 0.700027 F\n0.353824 0.391174 0.200027 F\n0.679509 0.332224 0.550505 F\n0.820491 0.332224 0.050505 F\n0.321912 0.148240 0.955852 F\n0.178088 0.148240 0.455852 F\n0.762228 0.082313 0.793859 F\n0.737772 0.082313 0.293859 F\n",
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"spacegroup": 14
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{
"id": "mp-798859",
"created_at": "2022-09-04T14:40:15.765298Z",
"structure_string": "Li6 V2 P6 O22\n1.0\n9.575524 0.000000 0.000000\n-3.389202 7.548955 0.000000\n-1.204989 -1.191479 5.798494\nLi V P O\n6 2 6 22\ndirect\n0.961749 0.288802 0.604979 Li\n0.115454 0.074456 0.385255 Li\n0.523420 0.686571 0.767908 Li\n0.476580 0.313429 0.232092 Li\n0.884546 0.925544 0.614745 Li\n0.038251 0.711198 0.395021 Li\n0.724297 0.079643 0.894575 V\n0.275703 0.920357 0.105425 V\n0.229944 0.507370 0.923925 P\n0.107283 0.632694 0.144382 P\n0.402938 0.265962 0.643012 P\n0.597062 0.734038 0.356988 P\n0.892717 0.367306 0.855618 P\n0.770056 0.492630 0.076075 P\n0.102228 0.811665 0.699306 O\n0.063832 0.469550 0.368261 O\n0.227904 0.259357 0.001487 O\n0.161978 0.422385 0.137923 O\n0.387101 0.491091 0.934479 O\n0.035231 0.069291 0.071402 O\n0.268366 0.602429 0.437872 O\n0.307374 0.101930 0.823817 O\n0.516432 0.860212 0.424608 O\n0.512131 0.251827 0.751690 O\n0.744704 0.332156 0.877279 O\n0.255296 0.667844 0.122721 O\n0.487869 0.748173 0.248310 O\n0.483568 0.139788 0.575392 O\n0.692626 0.898070 0.176183 O\n0.731634 0.397571 0.562128 O\n0.964769 0.930709 0.928598 O\n0.612899 0.508909 0.065521 O\n0.838022 0.577615 0.862077 O\n0.772096 0.740643 0.998513 O\n0.936168 0.530450 0.631739 O\n0.897772 0.188335 0.300694 O\n",
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{
"id": "mp-1018049",
"created_at": "2022-09-04T14:40:15.766047Z",
"structure_string": "La2 N2\n1.0\n4.458485 0.000000 0.000000\n0.000000 4.458485 0.000000\n0.000000 0.000000 3.756109\nLa N\n2 2\ndirect\n0.500000 0.000000 0.261490 La\n0.000000 0.500000 0.738510 La\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n",
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{
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{
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{
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"structure_string": "Cs1 Hf1 Mg14 O15\n1.0\n4.165239 0.000000 0.000000\n0.000000 8.396896 0.000000\n0.000000 0.000000 11.616232\nCs Hf Mg O\n1 1 14 15\ndirect\n0.000000 0.000000 0.933257 Cs\n0.000000 0.500000 0.468186 Hf\n0.000000 0.500000 0.046027 Mg\n0.000000 0.000000 0.475308 Mg\n0.500000 0.754962 0.085461 Mg\n0.500000 0.245038 0.085461 Mg\n0.500000 0.760238 0.471380 Mg\n0.500000 0.239762 0.471380 Mg\n0.500000 0.000000 0.661021 Mg\n0.500000 0.500000 0.730351 Mg\n0.500000 0.000000 0.265980 Mg\n0.500000 0.500000 0.257140 Mg\n0.000000 0.752039 0.673270 Mg\n0.000000 0.247961 0.673270 Mg\n0.000000 0.765635 0.255049 Mg\n0.000000 0.234365 0.255049 Mg\n0.000000 0.000000 0.663846 O\n0.000000 0.000000 0.302444 O\n0.000000 0.500000 0.295318 O\n0.500000 0.750330 0.672322 O\n0.500000 0.249670 0.672322 O\n0.500000 0.748604 0.283982 O\n0.500000 0.251396 0.283982 O\n0.500000 0.000000 0.092912 O\n0.500000 0.500000 0.084227 O\n0.500000 0.000000 0.481936 O\n0.500000 0.500000 0.467015 O\n0.000000 0.729841 0.084978 O\n0.000000 0.270159 0.084978 O\n0.000000 0.743853 0.486072 O\n0.000000 0.256147 0.486072 O\n",
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{
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"structure_string": "Tb4 Mo8 O30\n1.0\n9.747010 0.000000 0.000000\n0.000000 6.955173 0.000000\n0.000000 2.805675 10.470578\nTb Mo O\n4 8 30\ndirect\n0.523527 0.206779 0.225343 Tb\n0.023527 0.793221 0.274657 Tb\n0.476473 0.793221 0.774657 Tb\n0.976473 0.206779 0.725343 Tb\n0.257145 0.080394 0.990045 Mo\n0.757145 0.919606 0.509955 Mo\n0.742855 0.919606 0.009955 Mo\n0.242855 0.080394 0.490045 Mo\n0.905761 0.383037 0.155505 Mo\n0.405761 0.616963 0.344495 Mo\n0.094239 0.616963 0.844495 Mo\n0.594239 0.383037 0.655505 Mo\n0.166274 0.885617 0.100338 O\n0.666274 0.114383 0.399662 O\n0.833726 0.114383 0.899662 O\n0.333726 0.885617 0.600338 O\n0.972991 0.455841 0.289064 O\n0.472991 0.544159 0.210936 O\n0.027009 0.544159 0.710936 O\n0.527009 0.455841 0.789064 O\n0.372426 0.972610 0.899219 O\n0.872426 0.027390 0.600781 O\n0.627574 0.027390 0.100781 O\n0.127574 0.972610 0.399219 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.363577 0.241205 0.383467 O\n0.863577 0.758795 0.116533 O\n0.636423 0.758795 0.616533 O\n0.136423 0.241205 0.883467 O\n0.776037 0.385523 0.650657 O\n0.276037 0.614477 0.849343 O\n0.223963 0.614477 0.349343 O\n0.723963 0.385523 0.150657 O\n0.149858 0.218663 0.580968 O\n0.649858 0.781337 0.919032 O\n0.850142 0.781337 0.419032 O\n0.350142 0.218663 0.080968 O\n0.551864 0.127159 0.684905 O\n0.051864 0.872841 0.815095 O\n0.448136 0.872841 0.315095 O\n0.948136 0.127159 0.184905 O\n",
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{
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{
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"structure_string": "K14 P16 Pd9 O56\n1.0\n7.070776 9.636578 0.000000\n-7.070776 9.636578 0.000000\n0.000000 6.161345 10.785952\nK P Pd O\n14 16 9 56\ndirect\n0.585793 0.120875 0.417177 K\n0.120875 0.585793 0.417177 K\n0.415150 0.878375 0.582780 K\n0.878375 0.415150 0.582780 K\n0.648077 0.113537 0.098336 K\n0.113537 0.648077 0.098336 K\n0.354134 0.883719 0.901296 K\n0.883719 0.354134 0.901296 K\n0.841404 0.841404 0.407084 K\n0.157492 0.157492 0.594151 K\n0.999245 0.999245 0.501144 K\n0.258965 0.740942 0.500160 K\n0.740942 0.258965 0.500160 K\n0.252850 0.252850 0.999264 K\n0.139696 0.924168 0.196163 P\n0.924168 0.139696 0.196163 P\n0.859949 0.075484 0.803691 P\n0.075484 0.859949 0.803691 P\n0.604366 0.819227 0.310802 P\n0.819227 0.604366 0.310802 P\n0.395792 0.180632 0.688445 P\n0.180632 0.395792 0.688445 P\n0.320934 0.108893 0.300927 P\n0.108893 0.320934 0.300927 P\n0.680026 0.890721 0.699900 P\n0.890721 0.680026 0.699900 P\n0.425490 0.628178 0.192891 P\n0.628178 0.425490 0.192891 P\n0.575846 0.371670 0.806692 P\n0.371670 0.575846 0.806692 P\n0.434539 0.434539 0.452488 Pd\n0.566034 0.566034 0.546939 Pd\n0.413168 0.915631 0.156300 Pd\n0.915631 0.413168 0.156300 Pd\n0.587963 0.083258 0.843588 Pd\n0.083258 0.587963 0.843588 Pd\n0.000044 0.000044 0.999565 Pd\n0.373793 0.373793 0.242837 Pd\n0.626954 0.626954 0.756769 Pd\n0.606433 0.931744 0.338005 O\n0.931744 0.606433 0.338005 O\n0.393608 0.067942 0.662424 O\n0.067942 0.393608 0.662424 O\n0.203306 0.203306 0.258570 O\n0.797625 0.797625 0.740014 O\n0.414474 0.764562 0.115520 O\n0.764562 0.414474 0.115520 O\n0.582852 0.235613 0.885857 O\n0.235613 0.582852 0.885857 O\n0.252971 0.990253 0.109212 O\n0.990253 0.252971 0.109212 O\n0.745982 0.012070 0.890652 O\n0.012070 0.745982 0.890652 O\n0.272601 0.005117 0.416017 O\n0.005117 0.272601 0.416017 O\n0.727492 0.994830 0.583731 O\n0.994830 0.727492 0.583731 O\n0.347963 0.564497 0.166437 O\n0.564497 0.347963 0.166437 O\n0.652151 0.435429 0.833738 O\n0.435429 0.652151 0.833738 O\n0.090856 0.881778 0.122197 O\n0.881778 0.090856 0.122197 O\n0.909617 0.118038 0.877477 O\n0.118038 0.909617 0.877477 O\n0.747190 0.747190 0.286764 O\n0.252509 0.252509 0.713763 O\n0.385575 0.186837 0.326863 O\n0.186837 0.385575 0.326863 O\n0.614402 0.813231 0.673719 O\n0.813231 0.614402 0.673719 O\n0.519924 0.731705 0.424712 O\n0.731705 0.519924 0.424712 O\n0.480087 0.268205 0.575756 O\n0.268205 0.480087 0.575756 O\n0.153322 0.822444 0.312555 O\n0.822444 0.153322 0.312555 O\n0.847865 0.178114 0.686822 O\n0.178114 0.847865 0.686822 O\n0.405235 0.076357 0.181528 O\n0.076357 0.405235 0.181528 O\n0.592709 0.925733 0.816742 O\n0.925733 0.592709 0.816742 O\n0.569484 0.569484 0.142064 O\n0.430190 0.430190 0.858084 O\n0.391703 0.605931 0.332885 O\n0.605931 0.391703 0.332885 O\n0.608203 0.393701 0.667329 O\n0.393701 0.608203 0.667329 O\n0.029863 0.029863 0.246660 O\n0.970497 0.970497 0.752877 O\n0.578131 0.846753 0.190301 O\n0.846753 0.578131 0.190301 O\n0.420055 0.154123 0.810454 O\n0.154123 0.420055 0.810454 O\n",
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]
}