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{
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"formula_full": "P8 H72 C16 N8 O24 F8",
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},
{
"id": "mp-1024045",
"created_at": "2022-09-04T14:41:46.081067Z",
"structure_string": "Mg3 Zn1 O4\n1.0\n4.280078 0.000000 0.000000\n0.000000 4.280078 0.000000\n0.000000 0.000000 4.280078\nMg Zn O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"volume": 78.40703858371901,
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{
"id": "mp-996996",
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"structure_string": "Cr2 Au2 O4\n1.0\n-1.582362 2.635876 0.000000\n-4.367622 -2.621959 -11.404421\n-2.986583 0.000000 0.729403\nCr Au O\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Cr\n0.750000 0.250000 0.500000 Cr\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.056608 0.169823 0.886785 O\n0.556608 0.669823 0.886785 O\n0.443392 0.330177 0.113215 O\n0.943392 0.830177 0.113215 O\n",
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},
{
"id": "mp-1245244",
"created_at": "2022-09-04T14:42:48.039046Z",
"structure_string": "Ga50 N50\n1.0\n11.846727 -0.157690 0.309897\n-0.161702 11.523321 0.326544\n0.320181 0.332375 11.513651\nGa N\n50 50\ndirect\n0.912576 0.950330 0.442881 Ga\n0.079485 0.753979 0.365536 Ga\n0.810366 0.833028 0.001841 Ga\n0.074016 0.839036 0.952377 Ga\n0.204641 0.218471 0.189824 Ga\n0.245009 0.851761 0.804733 Ga\n0.610824 0.771131 0.755421 Ga\n0.938862 0.162600 0.270251 Ga\n0.348829 0.124463 0.624882 Ga\n0.437595 0.109327 0.109190 Ga\n0.378105 0.869669 0.614157 Ga\n0.366047 0.905381 0.985408 Ga\n0.465405 0.305810 0.188645 Ga\n0.746900 0.395076 0.202627 Ga\n0.108290 0.150819 0.503311 Ga\n0.633041 0.006223 0.931478 Ga\n0.073659 0.990214 0.685231 Ga\n0.525938 0.516401 0.841254 Ga\n0.067877 0.779339 0.616704 Ga\n0.072589 0.406826 0.411680 Ga\n0.670971 0.952301 0.438624 Ga\n0.473749 0.375996 0.597186 Ga\n0.951976 0.572552 0.330847 Ga\n0.847599 0.236097 0.866755 Ga\n0.272703 0.295354 0.423121 Ga\n0.390219 0.689483 0.930447 Ga\n0.927142 0.625849 0.069077 Ga\n0.254487 0.510989 0.285168 Ga\n0.316005 0.710530 0.151273 Ga\n0.763180 0.120218 0.112555 Ga\n0.886560 0.414000 0.630595 Ga\n0.855571 0.154057 0.558391 Ga\n0.569290 0.033682 0.650262 Ga\n0.808533 0.704715 0.529999 Ga\n0.225181 0.929031 0.179582 Ga\n0.120206 0.571645 0.595732 Ga\n0.683773 0.499198 0.696533 Ga\n0.793453 0.929560 0.704338 Ga\n0.913523 0.703104 0.768732 Ga\n0.791417 0.762934 0.302045 Ga\n0.768429 0.428348 0.422670 Ga\n0.941766 0.307690 0.065639 Ga\n0.975206 0.902810 0.146175 Ga\n0.657516 0.253808 0.657573 Ga\n0.668290 0.663362 0.000574 Ga\n0.374157 0.634135 0.679066 Ga\n0.326846 0.756873 0.394651 Ga\n0.546308 0.766725 0.468448 Ga\n0.604987 0.329387 0.981589 Ga\n0.786001 0.490283 0.925227 Ga\n0.592423 0.205497 0.381869 N\n0.411593 0.184343 0.807630 N\n0.332892 0.022072 0.436487 N\n0.780537 0.000894 0.549110 N\n0.959323 0.796378 0.487374 N\n0.773510 0.758211 0.693771 N\n0.789528 0.302231 0.545733 N\n0.501864 0.742805 0.637494 N\n0.854592 0.008751 0.213189 N\n0.326187 0.410853 0.006987 N\n0.599054 0.388609 0.139389 N\n0.553813 0.681172 0.895406 N\n0.297751 0.556516 0.551197 N\n0.783116 0.536241 0.555032 N\n0.208423 0.348551 0.731673 N\n0.921875 0.025544 0.754730 N\n0.053020 0.242662 0.171962 N\n0.617531 0.739203 0.248935 N\n0.386085 0.263555 0.527201 N\n0.936219 0.735850 0.926919 N\n0.095509 0.616157 0.111595 N\n0.156827 0.694927 0.072663 N\n0.377006 0.156808 0.898864 N\n0.085752 0.891330 0.262382 N\n0.501639 0.509859 0.343235 N\n0.367431 0.562707 0.830082 N\n0.037105 0.434737 0.572301 N\n0.498419 0.985047 0.028334 N\n0.551775 0.468589 0.414211 N\n0.122744 0.544750 0.828924 N\n0.580561 0.703099 0.166808 N\n0.968491 0.113995 0.430705 N\n0.806169 0.938273 0.313865 N\n0.314411 0.586512 0.442097 N\n0.283096 0.082214 0.161056 N\n0.872390 0.756542 0.155182 N\n0.243134 0.363343 0.004402 N\n0.077361 0.493625 0.903430 N\n0.126041 0.117713 0.887382 N\n0.866168 0.466751 0.075143 N\n0.818034 0.245161 0.193846 N\n0.600544 0.120262 0.338998 N\n0.241667 0.032668 0.412943 N\n0.299946 0.368695 0.741758 N\n0.889036 0.138879 0.729058 N\n0.701750 0.160723 0.963977 N\n0.637460 0.942971 0.778142 N\n0.091127 0.206812 0.875262 N\n0.315200 0.335003 0.257430 N\n0.807839 0.393241 0.786268 N\n",
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"density": 4.430693231793563,
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"formula_full": "Ga50 N50",
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"spacegroup": 1
},
{
"id": "mp-758951",
"created_at": "2022-09-04T14:42:22.807231Z",
"structure_string": "Mn4 O4 F4\n1.0\n0.000008 3.724635 0.000050\n-0.000255 0.000119 8.936386\n5.459222 0.000012 -0.000157\nMn O F\n4 4 4\ndirect\n0.749983 0.404695 0.367011 Mn\n0.749969 0.095310 0.866927 Mn\n0.250001 0.904653 0.132967 Mn\n0.250023 0.595329 0.632928 Mn\n0.749986 0.958940 0.138984 O\n0.249992 0.458931 0.361042 O\n0.750012 0.541071 0.638961 O\n0.249976 0.041065 0.861088 O\n0.750007 0.296475 0.066591 F\n0.250008 0.796470 0.433460 F\n0.750005 0.203538 0.566603 F\n0.250040 0.703523 0.933439 F\n",
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],
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"volume": 181.7089815991025,
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"formula_full": "Mn4 O4 F4",
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{
"id": "mp-1234197",
"created_at": "2022-09-04T14:42:03.693510Z",
"structure_string": "Mg1 Zn3 Cu2 H14 S2 O18\n1.0\n5.436524 0.206594 -0.394246\n0.230548 6.457981 -0.824996\n-0.762835 -0.519283 11.995739\nMg Zn Cu H S O\n1 3 2 14 2 18\ndirect\n0.482108 0.748308 0.689821 Mg\n0.005782 0.003691 0.013468 Zn\n0.650538 0.835760 0.446661 Zn\n0.566100 0.344961 0.468058 Zn\n0.108077 0.017413 0.505200 Cu\n0.064721 0.526183 0.504012 Cu\n0.762090 0.346888 0.057734 H\n0.167474 0.615163 0.957249 H\n0.598391 0.236587 0.942254 H\n0.350339 0.719718 0.069338 H\n0.723470 0.618870 0.864981 H\n0.192405 0.331786 0.138945 H\n0.484204 0.749488 0.910830 H\n0.423788 0.191998 0.091352 H\n0.942643 0.230481 0.357272 H\n0.992635 0.826790 0.632253 H\n0.370699 0.060115 0.323021 H\n0.723434 0.055932 0.647378 H\n0.412686 0.578031 0.316849 H\n0.743624 0.398513 0.666654 H\n0.127118 0.253471 0.819008 S\n0.793405 0.716662 0.194977 S\n0.016494 0.244810 0.698538 O\n0.881240 0.783646 0.319148 O\n0.398255 0.273023 0.830443 O\n0.523480 0.678662 0.181775 O\n0.005521 0.435403 0.890757 O\n0.934332 0.520695 0.151769 O\n0.076384 0.052981 0.857127 O\n0.831696 0.887618 0.132614 O\n0.422656 0.076579 0.404926 O\n0.678228 0.912972 0.616819 O\n0.444720 0.591220 0.399811 O\n0.597802 0.466922 0.626653 O\n0.936286 0.264031 0.439116 O\n0.148933 0.785275 0.596895 O\n0.256867 0.746315 0.993737 O\n0.690012 0.212804 0.018288 O\n0.610109 0.743878 0.856458 O\n0.266013 0.187189 0.124060 O\n",
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"formula_full": "Mg1 Zn3 Cu2 H14 S2 O18",
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{
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{
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}