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{
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{
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"structure_string": "Cr2 Co1 Se3 S1\n1.0\n0.000000 3.634641 0.000000\n-0.028847 0.000000 6.258412\n5.475092 1.817321 -3.081413\nCr Co Se S\n2 1 3 1\ndirect\n0.257764 0.716713 0.484471 Cr\n0.733877 0.295081 0.532246 Cr\n0.002440 0.987167 0.995121 Co\n0.887362 0.439753 0.225277 Se\n0.370263 0.970308 0.259474 Se\n0.626254 0.031148 0.747492 Se\n0.122040 0.559830 0.755920 S\n",
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{
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"structure_string": "Yb6 Co30 P19\n1.0\n7.326768 -12.690335 0.000000\n7.326768 12.690335 0.000000\n0.000000 0.000000 3.544986\nYb Co P\n6 30 19\ndirect\n0.295323 0.392464 0.000000 Yb\n0.903200 0.296348 0.500000 Yb\n0.703652 0.606852 0.500000 Yb\n0.393148 0.096800 0.500000 Yb\n0.097141 0.704677 0.000000 Yb\n0.607536 0.902859 0.000000 Yb\n0.074191 0.536236 0.500000 Co\n0.775149 0.046909 0.500000 Co\n0.222971 0.948660 0.000000 Co\n0.582965 0.734177 0.500000 Co\n0.051340 0.274311 0.000000 Co\n0.271760 0.224851 0.500000 Co\n0.774481 0.426327 0.500000 Co\n0.024012 0.887818 0.000000 Co\n0.535943 0.462255 0.000000 Co\n0.725689 0.777029 0.000000 Co\n0.225859 0.573700 0.000000 Co\n0.426300 0.652160 0.000000 Co\n0.972386 0.129639 0.500000 Co\n0.347840 0.774141 0.000000 Co\n0.265823 0.848788 0.500000 Co\n0.151212 0.417035 0.500000 Co\n0.463764 0.537955 0.500000 Co\n0.870361 0.842747 0.500000 Co\n0.157253 0.027614 0.500000 Co\n0.651846 0.225519 0.500000 Co\n0.849354 0.584192 0.000000 Co\n0.573673 0.348154 0.500000 Co\n0.953091 0.728240 0.500000 Co\n0.112182 0.136194 0.000000 Co\n0.537745 0.073687 0.000000 Co\n0.734838 0.150646 0.000000 Co\n0.863806 0.975988 0.000000 Co\n0.462045 0.925809 0.500000 Co\n0.926313 0.464057 0.000000 Co\n0.415808 0.265162 0.000000 Co\n0.566622 0.629467 0.000000 P\n0.451024 0.768448 0.500000 P\n0.432263 0.370405 0.500000 P\n0.231552 0.682577 0.500000 P\n0.136918 0.256536 0.500000 P\n0.548675 0.231523 0.000000 P\n0.864437 0.744393 0.000000 P\n0.119618 0.863082 0.500000 P\n0.317423 0.548976 0.500000 P\n0.629595 0.061858 0.500000 P\n0.938142 0.567737 0.500000 P\n0.370533 0.937155 0.000000 P\n0.255607 0.120044 0.000000 P\n0.743464 0.880382 0.500000 P\n0.682848 0.451325 0.000000 P\n0.768477 0.317152 0.000000 P\n0.000000 0.000000 0.500000 P\n0.879956 0.135563 0.000000 P\n0.062845 0.433378 0.000000 P\n",
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"spacegroup": 174
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{
"id": "mp-1111010",
"created_at": "2022-09-04T14:45:35.479676Z",
"structure_string": "K1 Na2 Mo1 F6\n1.0\n6.412847 0.000000 0.000000\n3.206424 5.553688 0.000000\n3.206424 1.851229 5.236067\nK Na Mo F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Mo\n0.227591 0.772409 0.227591 F\n0.772409 0.772409 0.227591 F\n0.772409 0.227591 0.772409 F\n0.772409 0.227591 0.227591 F\n0.227591 0.772409 0.772409 F\n0.227591 0.227591 0.772409 F\n",
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"spacegroup": 225
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{
"id": "mp-618968",
"created_at": "2022-09-04T14:45:35.487795Z",
"structure_string": "U4 Mo4 O20\n1.0\n4.145713 0.000000 0.000000\n0.000000 7.452458 0.000000\n0.000000 0.000000 13.012039\nU Mo O\n4 4 20\ndirect\n0.000000 0.250000 0.521289 U\n0.000000 0.750000 0.478711 U\n0.000000 0.250000 0.021289 U\n0.000000 0.750000 0.978711 U\n0.902510 0.000000 0.750000 Mo\n0.097490 0.000000 0.250000 Mo\n0.902510 0.500000 0.250000 Mo\n0.097490 0.500000 0.750000 Mo\n0.988987 0.457453 0.402016 O\n0.988987 0.042547 0.902016 O\n0.988987 0.957453 0.597984 O\n0.517557 0.000000 0.250000 O\n0.500000 0.250000 0.526395 O\n0.482443 0.500000 0.250000 O\n0.011013 0.542547 0.597984 O\n0.988987 0.542547 0.097984 O\n0.000000 0.750000 0.295572 O\n0.011013 0.957453 0.097984 O\n0.011013 0.042547 0.402016 O\n0.500000 0.750000 0.473605 O\n0.000000 0.250000 0.204428 O\n0.482443 0.000000 0.750000 O\n0.000000 0.250000 0.704428 O\n0.500000 0.250000 0.026395 O\n0.500000 0.750000 0.973605 O\n0.011013 0.457453 0.902016 O\n0.517557 0.500000 0.750000 O\n0.000000 0.750000 0.795572 O\n",
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"density": 6.839581681961918,
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{
"id": "mp-780463",
"created_at": "2022-09-04T14:45:35.488645Z",
"structure_string": "Ti22 Be2 O40\n1.0\n7.216253 0.000000 0.000000\n-1.976100 7.477873 0.000000\n-0.731471 -0.243528 13.115892\nTi Be O\n22 2 40\ndirect\n0.012205 0.921486 0.202412 Ti\n0.036105 0.434404 0.710308 Ti\n0.995676 0.296193 0.125969 Ti\n0.997672 0.205641 0.367924 Ti\n0.319776 0.946483 0.423779 Ti\n0.315472 0.709496 0.079690 Ti\n0.321307 0.570707 0.515007 Ti\n0.334096 0.433178 0.929836 Ti\n0.354449 0.629011 0.285726 Ti\n0.302110 0.206252 0.584686 Ti\n0.319504 0.085622 0.012779 Ti\n0.680496 0.914378 0.987221 Ti\n0.697890 0.793748 0.415314 Ti\n0.645551 0.370989 0.714274 Ti\n0.665904 0.566822 0.070164 Ti\n0.678693 0.429293 0.484993 Ti\n0.684528 0.290504 0.920310 Ti\n0.680224 0.053517 0.576221 Ti\n0.002328 0.794359 0.632076 Ti\n0.004324 0.703807 0.874031 Ti\n0.963895 0.565596 0.289692 Ti\n0.987795 0.078514 0.797588 Ti\n0.382735 0.006864 0.783456 Be\n0.617265 0.993136 0.216544 Be\n0.160145 0.900678 0.768468 O\n0.174903 0.827784 0.981072 O\n0.171340 0.954026 0.545165 O\n0.163148 0.739521 0.200654 O\n0.162180 0.540830 0.836394 O\n0.167401 0.617003 0.620276 O\n0.190063 0.681591 0.401108 O\n0.135304 0.395366 0.266574 O\n0.154952 0.239519 0.696359 O\n0.175392 0.175622 0.905203 O\n0.172092 0.325518 0.477929 O\n0.169462 0.460397 0.047860 O\n0.158754 0.042378 0.333809 O\n0.154939 0.114009 0.121162 O\n0.501062 0.961013 0.106585 O\n0.498404 0.679171 0.968436 O\n0.510967 0.895291 0.313629 O\n0.502217 0.828454 0.518226 O\n0.493330 0.456225 0.602289 O\n0.494963 0.605603 0.172323 O\n0.505037 0.394397 0.827677 O\n0.506670 0.543775 0.397711 O\n0.497783 0.171546 0.481774 O\n0.489033 0.104709 0.686371 O\n0.501596 0.320829 0.031564 O\n0.498938 0.038987 0.893415 O\n0.845061 0.885991 0.878838 O\n0.841246 0.957622 0.666191 O\n0.830538 0.539603 0.952140 O\n0.827908 0.674482 0.522071 O\n0.824608 0.824378 0.094797 O\n0.845048 0.760481 0.303641 O\n0.864696 0.604634 0.733426 O\n0.809937 0.318409 0.598892 O\n0.832599 0.382997 0.379724 O\n0.837820 0.459170 0.163606 O\n0.836852 0.260479 0.799346 O\n0.828660 0.045974 0.454835 O\n0.825097 0.172216 0.018928 O\n0.839855 0.099322 0.231532 O\n",
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{
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"structure_string": "Na4 Co4 P4 O16\n1.0\n5.079759 0.000000 0.000000\n0.000000 6.870334 0.000000\n0.000000 0.000000 8.975021\nNa Co P O\n4 4 4 16\ndirect\n0.466064 0.750000 0.149192 Na\n0.533936 0.250000 0.850808 Na\n0.966064 0.250000 0.350808 Na\n0.033936 0.750000 0.649192 Na\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.039336 0.250000 0.676443 P\n0.460664 0.250000 0.176443 P\n0.960664 0.750000 0.323557 P\n0.539336 0.750000 0.823557 P\n0.949719 0.750000 0.147751 O\n0.449719 0.250000 0.352249 O\n0.050281 0.250000 0.852249 O\n0.550281 0.750000 0.647751 O\n0.251292 0.750000 0.883746 O\n0.751292 0.250000 0.616254 O\n0.748708 0.250000 0.116254 O\n0.248708 0.750000 0.383746 O\n0.184834 0.434294 0.621964 O\n0.684834 0.565706 0.878036 O\n0.815166 0.934294 0.378036 O\n0.315166 0.065706 0.121964 O\n0.815166 0.565706 0.378036 O\n0.315166 0.434294 0.121964 O\n0.184834 0.065706 0.621964 O\n0.684834 0.934294 0.878036 O\n",
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