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{
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{
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{
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"created_at": "2022-09-04T14:40:37.111102Z",
"structure_string": "Ho4 Ni4 Sn2\n1.0\n7.280317 0.000000 0.000000\n0.000000 7.280317 0.000000\n0.000000 0.000000 3.698261\nHo Ni Sn\n4 4 2\ndirect\n0.673603 0.173603 0.500000 Ho\n0.326397 0.826397 0.500000 Ho\n0.173603 0.326397 0.500000 Ho\n0.826397 0.673603 0.500000 Ho\n0.876520 0.376520 0.000000 Ni\n0.123480 0.623480 0.000000 Ni\n0.376520 0.123480 0.000000 Ni\n0.623480 0.876520 0.000000 Ni\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
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{
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},
{
"id": "mp-766411",
"created_at": "2022-09-04T14:40:37.064840Z",
"structure_string": "H32 Pd2 C8 S8 N16 Cl4\n1.0\n5.686014 8.569181 0.000000\n-5.686014 8.569181 0.000000\n0.000000 0.367144 8.960510\nH Pd C S N Cl\n32 2 8 8 16 4\ndirect\n0.938607 0.670591 0.634883 H\n0.670591 0.938607 0.134883 H\n0.613696 0.868649 0.829941 H\n0.793242 0.658270 0.731166 H\n0.868649 0.613696 0.329941 H\n0.658270 0.793242 0.231166 H\n0.976471 0.351966 0.679652 H\n0.351966 0.976471 0.179652 H\n0.600657 0.591817 0.550831 H\n0.518809 0.668945 0.720453 H\n0.591817 0.600657 0.050831 H\n0.668945 0.518809 0.220453 H\n0.296894 0.844032 0.724814 H\n0.211564 0.913495 0.555083 H\n0.844032 0.296894 0.224814 H\n0.913495 0.211564 0.055083 H\n0.086505 0.788436 0.944917 H\n0.155968 0.703106 0.775186 H\n0.788436 0.086505 0.444917 H\n0.703106 0.155968 0.275186 H\n0.331055 0.481191 0.779547 H\n0.408183 0.399343 0.949169 H\n0.481191 0.331055 0.279547 H\n0.399343 0.408183 0.449169 H\n0.648034 0.023529 0.820348 H\n0.023529 0.648034 0.320348 H\n0.341730 0.206758 0.768834 H\n0.131351 0.386304 0.670059 H\n0.206758 0.341730 0.268834 H\n0.386304 0.131351 0.170059 H\n0.329409 0.061393 0.865117 H\n0.061393 0.329409 0.365117 H\n0.823086 0.176914 0.750000 Pd\n0.176914 0.823086 0.250000 Pd\n0.797790 0.857472 0.717452 C\n0.857472 0.797790 0.217452 C\n0.405039 0.754096 0.533613 C\n0.754096 0.405039 0.033613 C\n0.245904 0.594961 0.966387 C\n0.594961 0.245904 0.466387 C\n0.142528 0.202210 0.782548 C\n0.202210 0.142528 0.282548 C\n0.904322 0.945908 0.655819 S\n0.945908 0.904322 0.155819 S\n0.746042 0.410428 0.840337 S\n0.410428 0.746042 0.340337 S\n0.589572 0.253958 0.659663 S\n0.253958 0.589572 0.159663 S\n0.054093 0.095678 0.844181 S\n0.095678 0.054092 0.344181 S\n0.677747 0.920401 0.793406 N\n0.920401 0.677747 0.293406 N\n0.842479 0.720311 0.687102 N\n0.720311 0.842479 0.187102 N\n0.517296 0.665629 0.606546 N\n0.665629 0.517296 0.106546 N\n0.295698 0.843119 0.610717 N\n0.843119 0.295698 0.110717 N\n0.156881 0.704302 0.889283 N\n0.704302 0.156881 0.389283 N\n0.334371 0.482704 0.893454 N\n0.482704 0.334371 0.393454 N\n0.279689 0.157521 0.812898 N\n0.157521 0.279689 0.312898 N\n0.079599 0.322253 0.706594 N\n0.322253 0.079599 0.206594 N\n0.449189 0.815895 0.942073 Cl\n0.815895 0.449189 0.442073 Cl\n0.184105 0.550811 0.557927 Cl\n0.550811 0.184105 0.057927 Cl\n",
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"formula_full": "H32 Pd2 C8 S8 N16 Cl4",
"formula_reduced": "H16PdC4S4(N4Cl)2",
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"energy": -399.83235693,
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},
{
"id": "mp-1446454",
"created_at": "2022-09-04T14:40:37.075559Z",
"structure_string": "Mg2 V4 S8\n1.0\n0.000000 5.142350 5.142350\n5.142350 0.000000 5.142350\n5.142350 5.142350 0.000000\nMg V S\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.625000 0.125000 V\n0.125000 0.125000 0.625000 V\n0.625000 0.125000 0.125000 V\n0.125000 0.125000 0.125000 V\n0.886391 0.340828 0.886391 S\n0.363609 0.363609 0.909172 S\n0.363609 0.363609 0.363609 S\n0.909172 0.363609 0.363609 S\n0.886391 0.886391 0.886391 S\n0.340828 0.886391 0.886391 S\n0.363609 0.909172 0.363609 S\n0.886391 0.886391 0.340828 S\n",
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{
"id": "mp-1175647",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.743450 5.202052 0.000000\n-5.743450 5.202052 0.000000\n0.000000 1.926275 4.805053\nLi Mn Co O\n9 2 5 16\ndirect\n0.367022 0.113228 0.015476 Li\n0.886772 0.632978 0.984524 Li\n0.491311 0.994462 0.502341 Li\n0.005538 0.508689 0.497659 Li\n0.624156 0.876192 0.999586 Li\n0.123808 0.375844 0.000414 Li\n0.758452 0.755742 0.504242 Li\n0.244258 0.241548 0.495758 Li\n0.125684 0.874316 0.500000 Li\n0.001308 0.998692 0.000000 Mn\n0.498434 0.501566 0.000000 Mn\n0.625610 0.374390 0.500000 Co\n0.248675 0.751325 0.000000 Co\n0.751576 0.248424 0.000000 Co\n0.371621 0.628379 0.500000 Co\n0.876351 0.123649 0.500000 Co\n0.240839 0.000437 0.776713 O\n0.740037 0.497495 0.773301 O\n0.366440 0.849886 0.251336 O\n0.854616 0.357850 0.268369 O\n0.502591 0.739616 0.769390 O\n0.996249 0.241048 0.771848 O\n0.600332 0.599806 0.255328 O\n0.097780 0.113318 0.246165 O\n0.502505 0.259963 0.226699 O\n0.999563 0.759161 0.223287 O\n0.642150 0.145384 0.731631 O\n0.150114 0.633560 0.748664 O\n0.758952 0.003751 0.228152 O\n0.260384 0.497409 0.230610 O\n0.886682 0.902220 0.753835 O\n0.400194 0.399668 0.744672 O\n",
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{
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"structure_string": "Li4 Sb4 P16 O48\n1.0\n5.213216 -5.977938 0.000000\n5.213216 5.977938 0.000000\n0.000000 0.000000 17.413703\nLi Sb P O\n4 4 16 48\ndirect\n0.105480 0.178191 0.356423 Li\n0.821809 0.894520 0.143577 Li\n0.894520 0.821809 0.856423 Li\n0.178191 0.105480 0.643577 Li\n0.015417 0.433463 0.635167 Sb\n0.566537 0.984583 0.864833 Sb\n0.433463 0.015417 0.364833 Sb\n0.984583 0.566537 0.135167 Sb\n0.036264 0.743571 0.343258 P\n0.256429 0.963736 0.156742 P\n0.218062 0.684706 0.488190 P\n0.315294 0.781938 0.011810 P\n0.361295 0.638705 0.750000 P\n0.679906 0.713387 0.310257 P\n0.286613 0.320094 0.189743 P\n0.347949 0.347949 0.500000 P\n0.652051 0.652051 0.000000 P\n0.320094 0.286613 0.810257 P\n0.713387 0.679906 0.689743 P\n0.638705 0.361295 0.250000 P\n0.684706 0.218062 0.511810 P\n0.781938 0.315294 0.988190 P\n0.743571 0.036264 0.656742 P\n0.963736 0.256429 0.843258 P\n0.102787 0.929852 0.352122 O\n0.070148 0.897213 0.147878 O\n0.058535 0.646280 0.271657 O\n0.353720 0.941465 0.228343 O\n0.140541 0.683807 0.017011 O\n0.316193 0.859459 0.482989 O\n0.354709 0.899229 0.943233 O\n0.100771 0.645291 0.556767 O\n0.364629 0.891610 0.087956 O\n0.108390 0.635371 0.412044 O\n0.195347 0.610357 0.707178 O\n0.389643 0.804653 0.792822 O\n0.214030 0.459649 0.146011 O\n0.540351 0.785970 0.353989 O\n0.351218 0.547952 0.484938 O\n0.452048 0.648782 0.015062 O\n0.510104 0.618254 0.689596 O\n0.381746 0.489896 0.810404 O\n0.163080 0.274661 0.868706 O\n0.725339 0.836920 0.631294 O\n0.729075 0.781185 0.232871 O\n0.218815 0.270925 0.267129 O\n0.704530 0.751529 0.928106 O\n0.248471 0.295470 0.571894 O\n0.295470 0.248471 0.428106 O\n0.751529 0.704530 0.071894 O\n0.270925 0.218815 0.732871 O\n0.781185 0.729075 0.767129 O\n0.836920 0.725339 0.368706 O\n0.274661 0.163080 0.131294 O\n0.489896 0.381746 0.189596 O\n0.618254 0.510104 0.310404 O\n0.547952 0.351218 0.515062 O\n0.648782 0.452048 0.984938 O\n0.459649 0.214030 0.853989 O\n0.785970 0.540351 0.646011 O\n0.804653 0.389643 0.207178 O\n0.610357 0.195347 0.292822 O\n0.635371 0.108390 0.587956 O\n0.891610 0.364629 0.912044 O\n0.645291 0.100771 0.443233 O\n0.899229 0.354709 0.056767 O\n0.683807 0.140541 0.982989 O\n0.859459 0.316193 0.517011 O\n0.646280 0.058535 0.728343 O\n0.941465 0.353720 0.771657 O\n0.897213 0.070148 0.852122 O\n0.929852 0.102787 0.647878 O\n",
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{
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