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{
"id": "mp-569533",
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"structure_string": "Hg4 H40 C12 I12 N4\n1.0\n15.956836 0.000000 0.000000\n0.000000 8.916357 0.000000\n0.000000 0.072352 9.293813\nHg H C I N\n4 40 12 12 4\ndirect\n0.216445 0.820516 0.757720 Hg\n0.716445 0.679484 0.242280 Hg\n0.783555 0.179484 0.242280 Hg\n0.283555 0.320516 0.757720 Hg\n0.597756 0.894653 0.914337 H\n0.504424 0.963380 0.828419 H\n0.101273 0.544470 0.270362 H\n0.601273 0.955530 0.729638 H\n0.898727 0.455530 0.729638 H\n0.024651 0.131559 0.602719 H\n0.097756 0.605347 0.085663 H\n0.495576 0.036620 0.171581 H\n0.004558 0.802408 0.156356 H\n0.398727 0.044470 0.270362 H\n0.601339 0.537858 0.721526 H\n0.004424 0.536620 0.171581 H\n0.966683 0.293085 0.541982 H\n0.402244 0.105347 0.085663 H\n0.902244 0.394653 0.914337 H\n0.995442 0.197592 0.843644 H\n0.652923 0.650249 0.854536 H\n0.347077 0.349751 0.145464 H\n0.562662 0.183870 0.358045 H\n0.340543 0.298338 0.332630 H\n0.840543 0.201662 0.667370 H\n0.466683 0.206915 0.458018 H\n0.847077 0.150249 0.854536 H\n0.152923 0.849751 0.145464 H\n0.101339 0.962142 0.278474 H\n0.659457 0.701662 0.667370 H\n0.398661 0.462142 0.278474 H\n0.937338 0.683870 0.358045 H\n0.898661 0.037858 0.721526 H\n0.504558 0.697592 0.843644 H\n0.533317 0.793085 0.541982 H\n0.437338 0.816130 0.641955 H\n0.475349 0.631559 0.602719 H\n0.495442 0.302408 0.156356 H\n0.159457 0.798338 0.332630 H\n0.524651 0.368441 0.397281 H\n0.975349 0.868441 0.397281 H\n0.995576 0.463380 0.828419 H\n0.062662 0.316130 0.641955 H\n0.033317 0.706915 0.458018 H\n0.437048 0.098663 0.187029 C\n0.619799 0.651783 0.751329 C\n0.119799 0.848217 0.248671 C\n0.493436 0.747004 0.627623 C\n0.506564 0.252996 0.372377 C\n0.006564 0.247004 0.627623 C\n0.880201 0.151783 0.751329 C\n0.562952 0.901337 0.812971 C\n0.062952 0.598663 0.187029 C\n0.937048 0.401337 0.812971 C\n0.993436 0.752996 0.372377 C\n0.380201 0.348217 0.248671 C\n0.544522 0.674053 0.188048 I\n0.767274 0.449208 0.446553 I\n0.667130 0.240261 0.029087 I\n0.732726 0.949208 0.446553 I\n0.832870 0.740261 0.029087 I\n0.267274 0.050792 0.553447 I\n0.332870 0.759739 0.970913 I\n0.232726 0.550792 0.553447 I\n0.955478 0.174053 0.188048 I\n0.044522 0.825947 0.811952 I\n0.167130 0.259739 0.970913 I\n0.455478 0.325947 0.811952 I\n0.542460 0.745635 0.764929 N\n0.457540 0.254365 0.235071 N\n0.957540 0.245635 0.764929 N\n0.042460 0.754365 0.235071 N\n",
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"density": 3.221992433923557,
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"volume": 1322.2944043595344,
"volume_molar": 11.059781985018713,
"formula_full": "Hg4 H40 C12 I12 N4",
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{
"id": "mp-1202203",
"created_at": "2022-09-04T14:41:18.209194Z",
"structure_string": "Cu12 P16 S12 Br12\n1.0\n6.657952 0.000000 0.000000\n0.000000 9.936804 0.000000\n0.000000 0.000000 18.886768\nCu P S Br\n12 16 12 12\ndirect\n0.000140 0.250000 0.633435 Cu\n0.499860 0.250000 0.133435 Cu\n0.999860 0.750000 0.366565 Cu\n0.500140 0.750000 0.866565 Cu\n0.508707 0.519032 0.316821 Cu\n0.991293 0.980968 0.816821 Cu\n0.491293 0.019032 0.683179 Cu\n0.008707 0.480968 0.183179 Cu\n0.491293 0.480968 0.683179 Cu\n0.008707 0.019032 0.183179 Cu\n0.508707 0.980968 0.316821 Cu\n0.991293 0.519032 0.816821 Cu\n0.903048 0.250000 0.522035 P\n0.596952 0.250000 0.022035 P\n0.096952 0.750000 0.477965 P\n0.403048 0.750000 0.977965 P\n0.651335 0.365584 0.386252 P\n0.848665 0.134416 0.886252 P\n0.348665 0.865584 0.613748 P\n0.151335 0.634416 0.113748 P\n0.348665 0.634416 0.613748 P\n0.151335 0.865584 0.113748 P\n0.651335 0.134416 0.386252 P\n0.848665 0.365584 0.886252 P\n0.922310 0.250000 0.348027 P\n0.577690 0.250000 0.848027 P\n0.077690 0.750000 0.651973 P\n0.422310 0.750000 0.151973 P\n0.111933 0.250000 0.436764 S\n0.388067 0.250000 0.936764 S\n0.888067 0.750000 0.563236 S\n0.611933 0.750000 0.063236 S\n0.718138 0.414028 0.492015 S\n0.781862 0.085972 0.992015 S\n0.281862 0.914028 0.507985 S\n0.218138 0.585972 0.007985 S\n0.281862 0.585972 0.507985 S\n0.218138 0.914028 0.007985 S\n0.718138 0.085972 0.492015 S\n0.781862 0.414028 0.992015 S\n0.859788 0.452878 0.695602 Br\n0.640212 0.047122 0.195602 Br\n0.140212 0.952878 0.304398 Br\n0.359788 0.547122 0.804398 Br\n0.140212 0.547122 0.304398 Br\n0.359788 0.952878 0.804398 Br\n0.859788 0.047122 0.695602 Br\n0.640212 0.452878 0.195602 Br\n0.632873 0.750000 0.350458 Br\n0.867127 0.750000 0.850458 Br\n0.367127 0.250000 0.649542 Br\n0.132873 0.250000 0.149542 Br\n",
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"formula_full": "Cu12 P16 S12 Br12",
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{
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"created_at": "2022-09-04T14:41:17.530204Z",
"structure_string": "Gd2 Co1 Te2 S2 O14\n1.0\n-5.338872 0.000000 0.000000\n-0.584466 -7.956818 0.000000\n2.405284 3.416837 7.106581\nGd Co Te S O\n2 1 2 2 14\ndirect\n0.085713 0.251765 0.983416 Gd\n0.914287 0.748235 0.016584 Gd\n0.000000 0.000000 0.500000 Co\n0.518128 0.270892 0.660499 Te\n0.481872 0.729108 0.339501 Te\n0.768925 0.245936 0.251200 S\n0.231075 0.754064 0.748800 S\n0.903569 0.405412 0.256729 O\n0.096431 0.594588 0.743271 O\n0.873195 0.225121 0.427824 O\n0.126805 0.774879 0.572176 O\n0.482937 0.270370 0.217458 O\n0.517063 0.729630 0.782542 O\n0.822789 0.077606 0.088855 O\n0.177211 0.922394 0.911145 O\n0.750284 0.437299 0.893865 O\n0.249716 0.562701 0.106135 O\n0.277062 0.191529 0.747270 O\n0.722938 0.808471 0.252730 O\n0.752077 0.077951 0.666277 O\n0.247923 0.922049 0.333723 O\n",
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{
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{
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{
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{
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{
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}