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{
"id": "mp-1207395",
"created_at": "2022-09-04T14:42:00.268125Z",
"structure_string": "Zr2 Hg6 S4 Br12\n1.0\n7.664032 0.000000 0.000000\n0.000000 7.143609 0.000000\n0.000000 0.353280 13.674626\nZr Hg S Br\n2 6 4 12\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.704698 0.492156 0.259398 Hg\n0.295302 0.507844 0.740602 Hg\n0.204698 0.507844 0.240602 Hg\n0.795302 0.492156 0.759398 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.960914 0.637539 0.331808 S\n0.039086 0.362461 0.668192 S\n0.460914 0.362461 0.168192 S\n0.539086 0.637539 0.831808 S\n0.449162 0.851698 0.327621 Br\n0.550838 0.148302 0.672379 Br\n0.949162 0.148302 0.172379 Br\n0.050838 0.851698 0.827621 Br\n0.298903 0.865768 0.065872 Br\n0.701097 0.134232 0.934128 Br\n0.798903 0.134232 0.434128 Br\n0.201097 0.865768 0.565872 Br\n0.850383 0.679916 0.060469 Br\n0.149617 0.320084 0.939531 Br\n0.350383 0.320084 0.439531 Br\n0.649617 0.679916 0.560469 Br\n",
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{
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"structure_string": "Mg1 O2\n1.0\n3.614735 -1.604761 0.000000\n3.614735 1.604761 0.000000\n2.902301 0.000000 2.686673\nMg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.571214 0.571214 0.571214 O\n0.428786 0.428786 0.428786 O\n",
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"spacegroup": 166
},
{
"id": "mp-1224729",
"created_at": "2022-09-04T14:42:00.311497Z",
"structure_string": "Hf10 In3 Sb3\n1.0\n0.000418 0.000723 -5.748749\n-8.480618 0.002115 0.000650\n-4.242140 7.343374 -0.000650\nHf In Sb\n10 3 3\ndirect\n0.500031 0.333305 0.333273 Hf\n0.500031 0.666727 0.666695 Hf\n0.999850 0.666496 0.666670 Hf\n0.999850 0.333330 0.333504 Hf\n0.750283 0.247486 0.752514 Hf\n0.749926 0.752631 0.000161 Hf\n0.749926 0.999839 0.247369 Hf\n0.250456 0.751622 0.248378 Hf\n0.249919 0.248369 0.999817 Hf\n0.249919 0.000183 0.751631 Hf\n0.749703 0.609227 0.390773 In\n0.750127 0.390618 0.000119 In\n0.750127 0.999881 0.609382 In\n0.249813 0.390199 0.609801 Sb\n0.250019 0.610095 0.000007 Sb\n0.250019 0.999993 0.389905 Sb\n",
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"elements": [
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"formula_full": "Hf10 In3 Sb3",
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"spacegroup": 189
},
{
"id": "mp-676060",
"created_at": "2022-09-04T14:42:00.355656Z",
"structure_string": "Gd4 Cu2 O8\n1.0\n5.519437 0.000000 0.000000\n0.000000 5.523854 0.000000\n0.000000 2.620803 6.010931\nGd Cu O\n4 2 8\ndirect\n0.502938 0.156654 0.697117 Gd\n0.997062 0.656654 0.697117 Gd\n0.002938 0.343346 0.302883 Gd\n0.497062 0.843346 0.302883 Gd\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.248997 0.003979 0.502741 O\n0.272510 0.224681 0.005039 O\n0.772510 0.275319 0.994961 O\n0.748997 0.496021 0.497259 O\n0.251003 0.503979 0.502741 O\n0.227490 0.724681 0.005039 O\n0.727490 0.775319 0.994961 O\n0.751003 0.996021 0.497259 O\n",
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],
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"density": 8.010608105035294,
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"volume": 183.26465539591382,
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"formula_full": "Gd4 Cu2 O8",
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{
"id": "mp-530787",
"created_at": "2022-09-04T14:41:57.490655Z",
"structure_string": "Y6 Zr22 O53\n1.0\n3.627439 0.000000 0.000000\n0.000000 3.731409 0.000000\n0.000000 0.000000 74.429375\nY Zr O\n6 22 53\ndirect\n0.500000 0.500000 0.604074 Y\n0.500000 0.500000 0.747973 Y\n0.500000 0.500000 0.681006 Y\n0.500000 0.500000 0.891200 Y\n0.500000 0.500000 0.824239 Y\n0.500000 0.500000 0.966869 Y\n0.000000 0.000000 0.001366 Zr\n0.500000 0.500000 0.107298 Zr\n0.500000 0.500000 0.036320 Zr\n0.500000 0.500000 0.250080 Zr\n0.500000 0.500000 0.178627 Zr\n0.500000 0.500000 0.393138 Zr\n0.500000 0.500000 0.321590 Zr\n0.500000 0.500000 0.464568 Zr\n0.500000 0.500000 0.535383 Zr\n0.000000 0.000000 0.072091 Zr\n0.000000 0.000000 0.143309 Zr\n0.000000 0.000000 0.286211 Zr\n0.000000 0.000000 0.357745 Zr\n0.000000 0.000000 0.214722 Zr\n0.000000 0.000000 0.500397 Zr\n0.000000 0.000000 0.570470 Zr\n0.000000 0.000000 0.429257 Zr\n0.000000 0.000000 0.639199 Zr\n0.000000 0.000000 0.714593 Zr\n0.000000 0.000000 0.782853 Zr\n0.000000 0.000000 0.926122 Zr\n0.000000 0.000000 0.857807 Zr\n0.000000 0.500000 0.014831 O\n0.000000 0.500000 0.050085 O\n0.000000 0.500000 0.085306 O\n0.000000 0.500000 0.120946 O\n0.000000 0.500000 0.156454 O\n0.000000 0.500000 0.192243 O\n0.000000 0.500000 0.263685 O\n0.000000 0.500000 0.299330 O\n0.000000 0.500000 0.335197 O\n0.000000 0.500000 0.370879 O\n0.000000 0.500000 0.406791 O\n0.000000 0.500000 0.478458 O\n0.000000 0.500000 0.550273 O\n0.000000 0.500000 0.629130 O\n0.000000 0.500000 0.695977 O\n0.000000 0.500000 0.773046 O\n0.000000 0.500000 0.839102 O\n0.000000 0.500000 0.916145 O\n0.000000 0.500000 0.980386 O\n0.500000 0.000000 0.022254 O\n0.500000 0.000000 0.093435 O\n0.500000 0.000000 0.164821 O\n0.500000 0.000000 0.236291 O\n0.500000 0.000000 0.307804 O\n0.500000 0.000000 0.379328 O\n0.500000 0.000000 0.520726 O\n0.500000 0.000000 0.588328 O\n0.500000 0.000000 0.659724 O\n0.500000 0.000000 0.450602 O\n0.500000 0.000000 0.731649 O\n0.500000 0.000000 0.803149 O\n0.500000 0.000000 0.874966 O\n0.500000 0.000000 0.946596 O\n0.500000 0.000000 0.128998 O\n0.500000 0.000000 0.057684 O\n0.500000 0.000000 0.200440 O\n0.500000 0.000000 0.271938 O\n0.500000 0.000000 0.343466 O\n0.500000 0.000000 0.485750 O\n0.500000 0.000000 0.624478 O\n0.500000 0.000000 0.414921 O\n0.500000 0.000000 0.554627 O\n0.500000 0.000000 0.767981 O\n0.500000 0.000000 0.697937 O\n0.500000 0.000000 0.841239 O\n0.500000 0.000000 0.911359 O\n0.500000 0.000000 0.986611 O\n0.000000 0.500000 0.227845 O\n0.000000 0.500000 0.442509 O\n0.000000 0.500000 0.514188 O\n0.000000 0.500000 0.586018 O\n0.000000 0.500000 0.730799 O\n0.000000 0.500000 0.873909 O\n",
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],
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"formula_full": "Y6 Zr22 O53",
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"spacegroup": 25
},
{
"id": "mp-1220164",
"created_at": "2022-09-04T14:41:57.604629Z",
"structure_string": "Nd1 Al1 Sn1\n1.0\n0.000000 0.000000 -4.181652\n-2.297862 -3.980272 0.000000\n-2.297919 3.980305 0.000000\nNd Al Sn\n1 1 1\ndirect\n0.000000 0.999983 0.999997 Nd\n0.500000 0.333254 0.666643 Al\n0.500000 0.666662 0.333360 Sn\n",
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{
"id": "mp-1229311",
"created_at": "2022-09-04T14:41:57.616536Z",
"structure_string": "Ag5 Sb23 Pb12 S48\n1.0\n8.695419 0.000000 0.000000\n-0.044003 13.295957 0.000000\n-0.007660 -0.101782 19.624588\nAg Sb Pb S\n5 23 12 48\ndirect\n0.379922 0.818977 0.857529 Ag\n0.881350 0.676475 0.359468 Ag\n0.617876 0.177837 0.140694 Ag\n0.118555 0.321621 0.641287 Ag\n0.882985 0.851459 0.867960 Ag\n0.877623 0.855253 0.631155 Sb\n0.379343 0.650587 0.127818 Sb\n0.120807 0.149423 0.371928 Sb\n0.620174 0.349428 0.870609 Sb\n0.355378 0.871551 0.648659 Sb\n0.857450 0.626576 0.147693 Sb\n0.643794 0.129095 0.351575 Sb\n0.141748 0.375168 0.850512 Sb\n0.380197 0.120991 0.555489 Sb\n0.880044 0.378486 0.055125 Sb\n0.619727 0.878993 0.444914 Sb\n0.120669 0.623441 0.942662 Sb\n0.864997 0.132077 0.552386 Sb\n0.365107 0.367186 0.051832 Sb\n0.132090 0.867953 0.447572 Sb\n0.636972 0.635062 0.946717 Sb\n0.859115 0.117995 0.945736 Sb\n0.361030 0.380346 0.446419 Sb\n0.140177 0.880749 0.052489 Sb\n0.640443 0.619863 0.553974 Sb\n0.377810 0.649787 0.370195 Sb\n0.122066 0.149514 0.130763 Sb\n0.621330 0.351036 0.630861 Sb\n0.097925 0.076223 0.751565 Pb\n0.602512 0.418518 0.251590 Pb\n0.895839 0.919123 0.250795 Pb\n0.397746 0.585965 0.752784 Pb\n0.613716 0.091032 0.746324 Pb\n0.107285 0.406685 0.245831 Pb\n0.391933 0.905125 0.255199 Pb\n0.893037 0.599923 0.757317 Pb\n0.372331 0.108558 0.949076 Pb\n0.872132 0.387662 0.451341 Pb\n0.632264 0.887792 0.046614 Pb\n0.127521 0.613958 0.549501 Pb\n0.357246 0.763246 0.496003 S\n0.852029 0.736005 0.997029 S\n0.645351 0.237141 0.502693 S\n0.146297 0.265312 0.004027 S\n0.860434 0.937478 0.745468 S\n0.360782 0.563776 0.245485 S\n0.138555 0.063952 0.254212 S\n0.638097 0.436007 0.754702 S\n0.356987 0.950331 0.766486 S\n0.857168 0.548762 0.266783 S\n0.643147 0.049676 0.233264 S\n0.140641 0.451046 0.733717 S\n0.849680 0.217657 0.665066 S\n0.349614 0.282897 0.165532 S\n0.151018 0.784182 0.334004 S\n0.643461 0.712293 0.834541 S\n0.408564 0.239149 0.833705 S\n0.904301 0.258773 0.333126 S\n0.591532 0.759687 0.166890 S\n0.094378 0.742228 0.666897 S\n0.418585 0.752537 0.984202 S\n0.915950 0.747214 0.480856 S\n0.581466 0.250488 0.017639 S\n0.082525 0.250845 0.516922 S\n0.071667 0.017213 0.898583 S\n0.575469 0.481735 0.397995 S\n0.927190 0.982736 0.102206 S\n0.425287 0.517241 0.600868 S\n0.656675 0.998044 0.910583 S\n0.156630 0.501810 0.409225 S\n0.343934 0.000762 0.089870 S\n0.845965 0.498103 0.589716 S\n0.576653 0.998893 0.599912 S\n0.074637 0.501519 0.102855 S\n0.422527 0.001334 0.398956 S\n0.925055 0.496846 0.899781 S\n0.387688 0.224582 0.661635 S\n0.886673 0.275504 0.161511 S\n0.612600 0.777611 0.337310 S\n0.115078 0.721671 0.838686 S\n0.837829 0.228182 0.840765 S\n0.341232 0.269915 0.341104 S\n0.160975 0.771419 0.157992 S\n0.660447 0.729703 0.659633 S\n0.161226 0.001061 0.604588 S\n0.662129 0.498245 0.105948 S\n0.841511 0.998927 0.394042 S\n0.340094 0.498770 0.895027 S\n",
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{
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"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.095767 4.014918 0.000000\n-4.095767 4.014918 0.000000\n0.000000 0.010062 8.175969\nSr Ta N O\n4 4 4 8\ndirect\n0.001516 0.998484 0.500000 Sr\n0.509564 0.490436 0.500000 Sr\n0.499663 0.500337 0.000000 Sr\n0.993828 0.006172 0.000000 Sr\n0.489362 0.006000 0.243132 Ta\n0.507566 0.990147 0.755224 Ta\n0.994000 0.510638 0.756868 Ta\n0.009853 0.492434 0.244776 Ta\n0.770320 0.770966 0.745870 N\n0.476845 0.974845 0.000187 N\n0.025155 0.523155 0.999813 N\n0.229034 0.229680 0.254130 N\n0.776738 0.777330 0.258991 O\n0.969740 0.474607 0.499624 O\n0.272772 0.724551 0.717334 O\n0.726623 0.276093 0.231518 O\n0.275449 0.727228 0.282666 O\n0.723907 0.273377 0.768482 O\n0.525393 0.030260 0.500376 O\n0.222670 0.223262 0.741009 O\n",
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{
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