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{
"id": "mp-1190089",
"created_at": "2022-09-04T14:48:27.136626Z",
"structure_string": "Cs2 Hf4 Br18\n1.0\n7.094125 0.000000 0.000000\n0.000000 10.402613 0.000000\n0.000000 5.538170 12.409865\nCs Hf Br\n2 4 18\ndirect\n0.592504 0.500000 0.750000 Cs\n0.407496 0.500000 0.250000 Cs\n0.254111 0.826497 0.866610 Hf\n0.745889 0.173503 0.133390 Hf\n0.254111 0.173503 0.633390 Hf\n0.745889 0.826497 0.366610 Hf\n0.101287 0.795504 0.041521 Br\n0.898713 0.204496 0.958479 Br\n0.101287 0.204496 0.458479 Br\n0.898713 0.795504 0.541521 Br\n0.108411 0.616440 0.845544 Br\n0.891589 0.383560 0.154456 Br\n0.108411 0.383560 0.654456 Br\n0.891589 0.616440 0.345544 Br\n0.968919 0.000000 0.750000 Br\n0.031081 0.000000 0.250000 Br\n0.401792 0.083603 0.840103 Br\n0.598208 0.916397 0.159897 Br\n0.401792 0.916397 0.659897 Br\n0.598208 0.083603 0.340103 Br\n0.567300 0.709127 0.942500 Br\n0.432700 0.290873 0.057500 Br\n0.567300 0.290873 0.557500 Br\n0.432700 0.709127 0.442500 Br\n",
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{
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"structure_string": "Ba10 Sb6\n1.0\n5.067710 -8.777531 0.000000\n5.067710 8.777531 0.000000\n0.000000 0.000000 7.910811\nBa Sb\n10 6\ndirect\n0.000000 0.255787 0.750000 Ba\n0.000000 0.744213 0.250000 Ba\n0.255787 0.255787 0.250000 Ba\n0.255787 0.000000 0.750000 Ba\n0.744213 0.744213 0.750000 Ba\n0.744213 0.000000 0.250000 Ba\n0.333333 0.666667 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.608882 0.000000 0.750000 Sb\n0.608882 0.608882 0.250000 Sb\n0.000000 0.391118 0.250000 Sb\n0.000000 0.608882 0.750000 Sb\n0.391118 0.391118 0.750000 Sb\n0.391118 0.000000 0.250000 Sb\n",
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"formula_full": "Ba10 Sb6",
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"spacegroup": 193
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{
"id": "mp-1211456",
"created_at": "2022-09-04T14:48:27.132121Z",
"structure_string": "La8 Zr4 Cu4 O24\n1.0\n7.922406 0.000000 0.000000\n0.000000 7.903870 0.000000\n0.000000 0.325720 8.685617\nLa Zr Cu O\n8 4 4 24\ndirect\n0.750000 0.284868 0.728538 La\n0.250000 0.715132 0.271462 La\n0.750000 0.796582 0.740733 La\n0.250000 0.203418 0.259267 La\n0.750000 0.283255 0.294219 La\n0.250000 0.716745 0.705781 La\n0.750000 0.769043 0.306865 La\n0.250000 0.230957 0.693135 La\n0.000000 0.500000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.750000 0.028669 0.468471 O\n0.250000 0.971331 0.531529 O\n0.750000 0.529206 0.911963 O\n0.250000 0.470794 0.088037 O\n0.968138 0.750521 0.546893 O\n0.031862 0.249479 0.453107 O\n0.468138 0.249479 0.453107 O\n0.531862 0.750521 0.546893 O\n0.750000 0.472089 0.510774 O\n0.250000 0.527911 0.489226 O\n0.443212 0.942119 0.232234 O\n0.556788 0.057881 0.767766 O\n0.943212 0.057881 0.767766 O\n0.056788 0.942119 0.232234 O\n0.946813 0.566229 0.227173 O\n0.053187 0.433771 0.772827 O\n0.446813 0.433771 0.772827 O\n0.553187 0.566229 0.227173 O\n0.750000 0.914297 0.036342 O\n0.250000 0.085703 0.963658 O\n0.946483 0.248104 0.077070 O\n0.053517 0.751896 0.922930 O\n0.446483 0.751896 0.922930 O\n0.553517 0.248104 0.077070 O\n",
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"formula_full": "La8 Zr4 Cu4 O24",
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{
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"structure_string": "Li2 Re2 N4\n1.0\n5.683113 0.403687 -0.544345\n-2.220397 4.120728 0.000000\n-6.925432 -3.731672 5.031905\nLi Re N\n2 2 4\ndirect\n0.000000 0.500000 0.750000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.250000 Re\n0.000000 0.000000 0.000000 Re\n0.500000 0.048568 0.125000 N\n0.500000 0.951432 0.625000 N\n0.402865 0.451432 0.326432 N\n0.597135 0.548568 0.923568 N\n",
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"volume": 102.30555786289557,
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"formula_full": "Li2 Re2 N4",
"formula_reduced": "LiReN2",
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"spacegroup": 122
},
{
"id": "mp-755689",
"created_at": "2022-09-04T14:48:27.121921Z",
"structure_string": "Er2 Cl2 O2\n1.0\n3.739224 0.000000 0.000000\n0.000000 4.150510 0.000000\n0.000000 0.000000 9.238272\nEr Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.113295 Er\n0.000000 0.500000 0.886705 Er\n0.000000 0.000000 0.318108 Cl\n0.500000 0.500000 0.681892 Cl\n0.000000 0.000000 0.971512 O\n0.500000 0.500000 0.028488 O\n",
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{
"id": "mp-806082",
"created_at": "2022-09-04T14:48:27.116899Z",
"structure_string": "Li14 Fe6 O16\n1.0\n5.550521 0.000000 0.000000\n-2.541518 -7.323031 0.000000\n0.722356 3.741594 -9.744041\nLi Fe O\n14 6 16\ndirect\n0.284799 0.183062 0.933373 Li\n0.317121 0.621405 0.946348 Li\n0.143627 0.537017 0.665605 Li\n0.467551 0.825483 0.722355 Li\n0.580780 0.799299 0.561039 Li\n0.460050 0.187896 0.779627 Li\n0.284016 0.579298 0.483844 Li\n0.715984 0.420702 0.516156 Li\n0.539950 0.812104 0.220373 Li\n0.419220 0.200701 0.438961 Li\n0.532449 0.174517 0.277645 Li\n0.856373 0.462983 0.334395 Li\n0.682879 0.378595 0.053652 Li\n0.715201 0.816938 0.066627 Li\n0.808185 0.419700 0.854204 Fe\n0.947612 0.990817 0.838064 Fe\n0.059887 0.068322 0.621800 Fe\n0.940113 0.931678 0.378200 Fe\n0.052388 0.009183 0.161936 Fe\n0.191815 0.580300 0.145796 Fe\n0.909667 0.218079 0.845410 O\n0.486221 0.488493 0.763008 O\n0.266249 0.860456 0.953340 O\n0.649327 0.760163 0.875845 O\n0.100053 0.693097 0.796864 O\n0.076474 0.269762 0.658963 O\n0.632392 0.754151 0.460153 O\n0.235648 0.886389 0.481860 O\n0.764352 0.113611 0.518140 O\n0.367608 0.245849 0.539847 O\n0.923526 0.730238 0.341037 O\n0.899947 0.306903 0.203136 O\n0.350673 0.239837 0.124155 O\n0.733751 0.139544 0.046660 O\n0.513779 0.511507 0.236992 O\n0.090333 0.781921 0.154590 O\n",
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"formula_full": "Li14 Fe6 O16",
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{
"id": "mp-1219834",
"created_at": "2022-09-04T14:48:27.112966Z",
"structure_string": "Pr2 Sb1 Au3\n1.0\n3.727313 0.000000 0.000000\n0.000000 4.718870 0.000000\n0.000000 0.000000 8.491485\nPr Sb Au\n2 1 3\ndirect\n0.000000 0.500000 0.988339 Pr\n0.000000 0.000000 0.513035 Pr\n0.500000 0.500000 0.335477 Sb\n0.500000 0.000000 0.834192 Au\n0.500000 0.000000 0.160004 Au\n0.500000 0.500000 0.668953 Au\n",
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{
"id": "mp-1202403",
"created_at": "2022-09-04T14:48:27.112910Z",
"structure_string": "Na2 U2 Zn1 H8 C12 O28\n1.0\n6.510718 0.052550 0.588231\n2.845527 7.196254 1.974989\n0.072567 -0.058556 13.057034\nNa U Zn H C O\n2 2 1 8 12 28\ndirect\n0.750134 0.835352 0.792177 Na\n0.249866 0.164648 0.207823 Na\n0.761965 0.336602 0.804070 U\n0.238035 0.663398 0.195930 U\n0.500000 0.000000 0.500000 Zn\n0.917437 0.858460 0.574077 H\n0.082563 0.141540 0.425923 H\n0.805306 0.061109 0.598831 H\n0.194694 0.938891 0.401169 H\n0.751560 0.980914 0.317706 H\n0.248440 0.019086 0.682294 H\n0.649224 0.192488 0.328158 H\n0.350776 0.807512 0.671842 H\n0.309111 0.249390 0.774514 C\n0.690889 0.750610 0.225486 C\n0.215662 0.453085 0.781295 C\n0.784338 0.546915 0.218705 C\n0.802053 0.388234 0.546178 C\n0.197947 0.611766 0.453822 C\n0.697435 0.589929 0.562713 C\n0.302565 0.410071 0.437287 C\n0.524097 0.588915 0.978936 C\n0.475903 0.411085 0.021064 C\n0.973916 0.932697 0.975329 C\n0.026084 0.067303 0.024671 C\n0.169162 0.177372 0.767010 O\n0.830838 0.822628 0.232990 O\n0.007790 0.527778 0.790565 O\n0.992210 0.472222 0.209435 O\n0.354973 0.529952 0.776431 O\n0.645027 0.470048 0.223569 O\n0.517610 0.167692 0.775573 O\n0.482390 0.832308 0.224427 O\n0.818741 0.264169 0.634229 O\n0.181259 0.735831 0.365771 O\n0.679883 0.600981 0.659550 O\n0.320117 0.399019 0.340450 O\n0.636121 0.724523 0.484128 O\n0.363879 0.275477 0.515872 O\n0.859384 0.356034 0.457798 O\n0.140616 0.643966 0.542202 O\n0.629903 0.598411 0.892145 O\n0.370097 0.401589 0.107855 O\n0.456929 0.711156 0.032817 O\n0.543071 0.288844 0.967183 O\n0.889139 0.999524 0.883099 O\n0.110861 0.000476 0.116901 O\n0.017293 0.768752 0.029010 O\n0.982707 0.231248 0.970990 O\n0.780500 0.945379 0.600765 O\n0.219500 0.054621 0.399235 O\n0.701846 0.062778 0.368591 O\n0.298154 0.937222 0.631409 O\n",
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{
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"structure_string": "Na8 Mo4 As8 O36\n1.0\n-7.105903 0.000000 1.332293\n0.022158 0.000000 -9.973681\n0.000000 -12.323486 0.000000\nNa Mo As O\n8 4 8 36\ndirect\n0.631754 0.631978 0.592748 Na\n0.368246 0.868022 0.092748 Na\n0.365706 0.366425 0.407383 Na\n0.634294 0.133575 0.907383 Na\n0.495875 0.007303 0.488128 Na\n0.504125 0.492697 0.988128 Na\n0.968697 0.975481 0.502141 Na\n0.031303 0.524519 0.002141 Na\n0.858535 0.456379 0.319838 Mo\n0.141465 0.043621 0.819838 Mo\n0.140928 0.542770 0.679445 Mo\n0.859072 0.957230 0.179445 Mo\n0.579628 0.713210 0.331784 As\n0.420372 0.786790 0.831784 As\n0.421781 0.286737 0.667613 As\n0.578219 0.213263 0.167613 As\n0.189867 0.704516 0.428274 As\n0.810133 0.795484 0.928274 As\n0.809985 0.294346 0.571551 As\n0.190015 0.205654 0.071551 As\n0.658428 0.788972 0.209263 O\n0.341572 0.711028 0.709263 O\n0.341822 0.211576 0.790483 O\n0.658178 0.288424 0.290483 O\n0.266175 0.589171 0.512499 O\n0.733825 0.910829 0.012499 O\n0.734838 0.410493 0.487606 O\n0.265162 0.089507 0.987606 O\n0.600284 0.545408 0.328979 O\n0.399716 0.954592 0.828979 O\n0.399990 0.454488 0.672095 O\n0.600010 0.045512 0.172095 O\n0.903139 0.498029 0.184957 O\n0.096861 0.001971 0.684957 O\n0.098789 0.503207 0.814867 O\n0.901211 0.996793 0.314867 O\n0.637773 0.799551 0.448004 O\n0.362227 0.700449 0.948004 O\n0.364748 0.202401 0.551084 O\n0.635252 0.297599 0.051084 O\n0.046744 0.379640 0.356853 O\n0.953256 0.120360 0.856853 O\n0.953577 0.621047 0.642863 O\n0.046423 0.878953 0.142863 O\n0.208567 0.865723 0.468565 O\n0.791433 0.634277 0.968565 O\n0.787929 0.133219 0.530764 O\n0.212071 0.366781 0.030764 O\n0.331501 0.703283 0.307116 O\n0.668499 0.796717 0.807116 O\n0.669839 0.297312 0.693212 O\n0.330161 0.202688 0.193212 O\n0.964474 0.643143 0.379556 O\n0.035526 0.856857 0.879556 O\n0.035135 0.356580 0.620524 O\n0.964865 0.143420 0.120524 O\n",
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}