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{
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"structure_string": "Mg14 Zn1 Mo1\n1.0\n6.270826 0.000000 -0.000000\n-3.135413 5.430694 -0.000000\n0.000000 0.000000 9.875226\nMg Zn Mo\n14 1 1\ndirect\n0.166655 0.833327 0.125000 Mg\n0.168469 0.834234 0.625000 Mg\n0.666673 0.333345 0.125000 Mg\n0.665766 0.331531 0.625000 Mg\n0.666673 0.833327 0.125000 Mg\n0.665766 0.834234 0.625000 Mg\n0.326249 0.173751 0.378726 Mg\n0.326249 0.173751 0.871274 Mg\n0.326249 0.652499 0.378726 Mg\n0.326249 0.652499 0.871274 Mg\n0.847501 0.173751 0.378726 Mg\n0.847501 0.173751 0.871274 Mg\n0.833333 0.666667 0.375951 Mg\n0.833333 0.666667 0.874049 Mg\n0.166667 0.333333 0.125000 Zn\n0.166667 0.333333 0.625000 Mo\n",
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{
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{
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{
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"structure_string": "Li9 Ni21 O36\n1.0\n4.975771 0.000000 0.000000\n-2.469890 4.324562 0.000000\n-0.030784 -0.115391 28.648463\nLi Ni O\n9 21 36\ndirect\n0.833417 0.668014 0.001518 Li\n0.840295 0.660232 0.498921 Li\n0.832986 0.334913 0.334533 Li\n0.833189 0.326391 0.832216 Li\n0.829148 0.994951 0.165834 Li\n0.166000 0.997411 0.083629 Li\n0.162990 0.666857 0.667902 Li\n0.166887 0.666687 0.416669 Li\n0.161824 0.322838 0.749975 Li\n0.841333 0.674920 0.750299 Ni\n0.833034 0.668684 0.249880 Ni\n0.842273 0.336928 0.083068 Ni\n0.829294 0.327117 0.583492 Ni\n0.843694 0.004710 0.416662 Ni\n0.833109 0.000423 0.916628 Ni\n0.490534 0.328121 0.916691 Ni\n0.492789 0.329913 0.416689 Ni\n0.487518 0.331308 0.668677 Ni\n0.493524 0.323850 0.164853 Ni\n0.490594 0.995494 0.250027 Ni\n0.501052 0.998866 0.750252 Ni\n0.491691 0.002962 0.001620 Ni\n0.491870 0.993227 0.498009 Ni\n0.496965 0.665712 0.583176 Ni\n0.490336 0.661271 0.083005 Ni\n0.492857 0.671711 0.335104 Ni\n0.162512 0.003894 0.583259 Ni\n0.495342 0.656970 0.831775 Ni\n0.162269 0.664538 0.916533 Ni\n0.162379 0.332407 0.249973 Ni\n0.803677 0.631552 0.620146 O\n0.797103 0.634707 0.119442 O\n0.804859 0.632000 0.879549 O\n0.797392 0.660692 0.380230 O\n0.795352 0.330866 0.954903 O\n0.797778 0.300930 0.453221 O\n0.800117 0.298586 0.212520 O\n0.807478 0.344909 0.713622 O\n0.538136 0.342919 0.045394 O\n0.541249 0.361776 0.787616 O\n0.530083 0.328182 0.543614 O\n0.515107 0.370848 0.288586 O\n0.798536 0.001077 0.288087 O\n0.802982 0.973694 0.787199 O\n0.817968 0.987763 0.548522 O\n0.795908 0.992401 0.046681 O\n0.538977 0.013914 0.379229 O\n0.541168 0.029036 0.121025 O\n0.520648 0.983355 0.877138 O\n0.460863 0.002468 0.622766 O\n0.168301 0.991166 0.952100 O\n0.176266 0.014811 0.452658 O\n0.527805 0.675309 0.712859 O\n0.169120 0.012746 0.214377 O\n0.543094 0.693848 0.454651 O\n0.514606 0.647787 0.210323 O\n0.183648 0.984854 0.713546 O\n0.506314 0.698958 0.955326 O\n0.171653 0.659500 0.285605 O\n0.179665 0.685595 0.785974 O\n0.188475 0.697496 0.545769 O\n0.173076 0.660832 0.047047 O\n0.177685 0.346657 0.618839 O\n0.175445 0.346531 0.119032 O\n0.173744 0.348125 0.880705 O\n0.175823 0.329475 0.380531 O\n",
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{
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"structure_string": "Sr16 Ca16 Ti8 Mn24 O80\n1.0\n-0.004546 -0.011969 11.082246\n11.283434 0.002135 -0.004575\n-5.636247 15.608809 -5.555274\nSr Ca Ti Mn O\n16 16 8 24 80\ndirect\n0.309344 0.560740 0.610247 Sr\n0.807639 0.060284 0.608166 Sr\n0.809997 0.560045 0.609948 Sr\n0.196670 0.437056 0.388448 Sr\n0.192400 0.437383 0.889068 Sr\n0.697551 0.438950 0.387567 Sr\n0.699264 0.935817 0.386524 Sr\n0.695443 0.936205 0.888325 Sr\n0.060292 0.298799 0.609919 Sr\n0.060183 0.798951 0.609190 Sr\n0.558334 0.300248 0.609963 Sr\n0.559976 0.797094 0.610002 Sr\n0.446611 0.201159 0.386998 Sr\n0.440930 0.198891 0.886013 Sr\n0.947474 0.199418 0.388416 Sr\n0.948752 0.204883 0.889911 Sr\n0.300417 0.070893 0.109566 Ca\n0.305104 0.061294 0.605328 Ca\n0.304422 0.563467 0.112861 Ca\n0.803624 0.067376 0.108463 Ca\n0.802677 0.568619 0.114403 Ca\n0.194556 0.933310 0.391086 Ca\n0.196754 0.936645 0.892606 Ca\n0.698784 0.438372 0.894498 Ca\n0.055594 0.288191 0.109142 Ca\n0.051642 0.800369 0.112674 Ca\n0.548000 0.291058 0.108960 Ca\n0.554247 0.794311 0.109766 Ca\n0.447981 0.704269 0.391187 Ca\n0.443039 0.705542 0.891254 Ca\n0.947030 0.706933 0.392185 Ca\n0.943604 0.701900 0.893152 Ca\n0.003537 0.997866 0.998527 Ti\n0.006187 0.504834 0.009051 Ti\n0.501354 0.996586 0.000989 Ti\n0.503081 0.997610 0.497994 Ti\n0.503312 0.503051 0.001595 Ti\n0.253356 0.751854 0.004506 Ti\n0.751077 0.254132 0.002221 Ti\n0.755082 0.749358 0.001914 Ti\n0.006620 0.996803 0.498019 Mn\n0.004310 0.500765 0.498263 Mn\n0.503883 0.500841 0.498570 Mn\n0.255534 0.252139 0.001964 Mn\n0.254529 0.245951 0.499135 Mn\n0.255575 0.750165 0.498262 Mn\n0.753348 0.249235 0.497970 Mn\n0.755196 0.748028 0.497241 Mn\n0.105268 0.090968 0.246629 Mn\n0.113482 0.092282 0.750089 Mn\n0.109100 0.595981 0.249989 Mn\n0.115631 0.603281 0.754234 Mn\n0.604229 0.090851 0.242907 Mn\n0.607529 0.100748 0.749062 Mn\n0.609163 0.591923 0.246361 Mn\n0.612917 0.595721 0.754583 Mn\n0.355559 0.406845 0.248510 Mn\n0.366738 0.407054 0.752563 Mn\n0.356966 0.902081 0.247738 Mn\n0.360878 0.903668 0.749765 Mn\n0.856245 0.404814 0.246033 Mn\n0.858915 0.411169 0.756732 Mn\n0.862381 0.903296 0.245843 Mn\n0.865628 0.903594 0.750371 Mn\n0.127927 0.115790 0.490635 O\n0.123582 0.112577 0.993470 O\n0.121874 0.625428 0.485394 O\n0.124412 0.625957 0.988575 O\n0.622557 0.119835 0.490425 O\n0.628363 0.125438 0.993560 O\n0.621258 0.622676 0.487723 O\n0.629040 0.621346 0.987631 O\n0.131329 0.390532 0.015947 O\n0.134251 0.371733 0.504897 O\n0.142524 0.880616 0.018509 O\n0.137240 0.880200 0.506402 O\n0.642816 0.383368 0.019334 O\n0.630356 0.375498 0.502675 O\n0.641511 0.877964 0.016734 O\n0.630702 0.875770 0.504872 O\n0.370311 0.111824 0.486248 O\n0.378088 0.109297 0.990960 O\n0.375520 0.621324 0.488397 O\n0.379999 0.621030 0.987662 O\n0.876278 0.120739 0.494249 O\n0.877735 0.118194 0.993086 O\n0.873264 0.623703 0.488679 O\n0.876271 0.617633 0.987868 O\n0.394102 0.394037 0.017686 O\n0.380024 0.375360 0.503489 O\n0.392586 0.884362 0.018329 O\n0.383508 0.882694 0.509844 O\n0.887539 0.389444 0.017403 O\n0.879129 0.376195 0.503623 O\n0.891841 0.883675 0.017253 O\n0.884029 0.876879 0.504727 O\n0.082731 0.089642 0.132907 O\n0.080500 0.077818 0.632822 O\n0.080089 0.603235 0.128845 O\n0.072807 0.583012 0.632238 O\n0.584706 0.093199 0.128706 O\n0.574057 0.083656 0.625077 O\n0.586745 0.600251 0.127404 O\n0.572895 0.578530 0.630826 O\n0.434880 0.417684 0.364095 O\n0.461020 0.412461 0.877520 O\n0.445070 0.907047 0.369551 O\n0.454895 0.908287 0.876952 O\n0.934707 0.414790 0.361509 O\n0.944438 0.416287 0.872516 O\n0.948377 0.909397 0.367565 O\n0.954003 0.904009 0.876432 O\n0.335954 0.292464 0.137936 O\n0.326631 0.287814 0.630463 O\n0.332411 0.776056 0.126575 O\n0.320245 0.790801 0.627039 O\n0.836367 0.288641 0.130370 O\n0.825011 0.309433 0.641501 O\n0.836604 0.777737 0.126566 O\n0.823165 0.793939 0.627534 O\n0.184682 0.195614 0.361738 O\n0.190795 0.204808 0.864669 O\n0.203668 0.713773 0.369520 O\n0.207519 0.721206 0.877112 O\n0.682999 0.189185 0.358506 O\n0.699199 0.219103 0.878436 O\n0.698317 0.702424 0.367607 O\n0.711803 0.713662 0.876329 O\n0.422304 0.069299 0.238715 O\n0.420008 0.072049 0.744032 O\n0.422116 0.569177 0.247436 O\n0.432578 0.583034 0.759975 O\n0.923560 0.073192 0.239607 O\n0.938051 0.072436 0.751433 O\n0.922101 0.571336 0.249041 O\n0.934362 0.574029 0.761204 O\n0.171824 0.419056 0.239635 O\n0.185314 0.437647 0.752891 O\n0.170278 0.927966 0.247885 O\n0.181947 0.932568 0.760935 O\n0.672017 0.416554 0.238103 O\n0.682895 0.425924 0.760403 O\n0.674438 0.929041 0.239172 O\n0.686002 0.937646 0.752919 O\n",
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"elements": [
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"formula_full": "Sr16 Ca16 Ti8 Mn24 O80",
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"updated_at": "2021-11-28T01:34:38.340000Z",
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},
{
"id": "mp-1207926",
"created_at": "2022-09-04T14:39:11.500600Z",
"structure_string": "Yb2 Fe2 C12 N12 O8\n1.0\n3.823976 -6.687107 0.000000\n3.823976 6.687107 0.000000\n0.000000 0.000000 13.199385\nYb Fe C N O\n2 2 12 12 8\ndirect\n0.666003 0.333997 0.250000 Yb\n0.333997 0.666003 0.750000 Yb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.869573 0.130427 0.068386 C\n0.130427 0.869573 0.931615 C\n0.130427 0.869573 0.568386 C\n0.869573 0.130427 0.431615 C\n0.867096 0.768758 0.090542 C\n0.132904 0.231242 0.909458 C\n0.132904 0.231242 0.590542 C\n0.231242 0.132904 0.409458 C\n0.867096 0.768758 0.409458 C\n0.768758 0.867096 0.590542 C\n0.768758 0.867096 0.909458 C\n0.231242 0.132904 0.090542 C\n0.789606 0.624641 0.140894 N\n0.210394 0.375359 0.859106 N\n0.210394 0.375359 0.640894 N\n0.375359 0.210394 0.359106 N\n0.789606 0.624641 0.359106 N\n0.624641 0.789606 0.640894 N\n0.624641 0.789606 0.859106 N\n0.375359 0.210394 0.140894 N\n0.793523 0.206477 0.112066 N\n0.206477 0.793523 0.887934 N\n0.206477 0.793523 0.612066 N\n0.793523 0.206477 0.387934 N\n0.164115 0.569722 0.250000 O\n0.835885 0.430278 0.750000 O\n0.430278 0.835885 0.250000 O\n0.569722 0.164115 0.750000 O\n0.324367 0.675633 0.172767 O\n0.675633 0.324367 0.827233 O\n0.675633 0.324367 0.672767 O\n0.324367 0.675633 0.327233 O\n",
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{
"id": "mp-1225156",
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"structure_string": "Er1 Mn6 Ga6\n1.0\n0.000000 0.000000 4.886314\n-4.411812 4.411812 2.443157\n-4.522879 -4.522879 -2.443157\nEr Mn Ga\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.650732 0.349268 0.650733 Mn\n0.349268 0.650732 0.349267 Mn\n0.999999 0.349268 0.349267 Mn\n0.000001 0.650732 0.650733 Mn\n0.750727 0.738401 0.239855 Ga\n0.249273 0.261599 0.760145 Ga\n0.510872 0.738401 0.760145 Ga\n0.489128 0.261599 0.239855 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n",
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],
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"density": 7.793522003678391,
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"volume": 195.00391669610121,
"volume_molar": 9.03339257765566,
"formula_full": "Er1 Mn6 Ga6",
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{
"id": "mp-1248468",
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"structure_string": "Na4 Ca4 Al4 Si8 O28\n1.0\n11.504440 0.000000 0.000000\n0.000000 7.685079 0.000000\n0.000000 0.000000 7.872505\nNa Ca Al Si O\n4 4 4 8 28\ndirect\n0.913184 0.768233 0.283973 Na\n0.586816 0.731767 0.783973 Na\n0.413184 0.231767 0.716027 Na\n0.086816 0.268233 0.216027 Na\n0.104750 0.066007 0.594022 Ca\n0.395250 0.433993 0.094022 Ca\n0.604750 0.933993 0.405978 Ca\n0.895250 0.566007 0.905978 Ca\n0.991728 0.992197 0.990598 Al\n0.491728 0.007803 0.009402 Al\n0.508272 0.507803 0.490598 Al\n0.008272 0.492197 0.509402 Al\n0.642071 0.651660 0.136929 Si\n0.635544 0.358157 0.853445 Si\n0.864456 0.141843 0.353445 Si\n0.857929 0.848340 0.636929 Si\n0.142071 0.348340 0.863071 Si\n0.135544 0.641843 0.146555 Si\n0.357929 0.151660 0.363071 Si\n0.364456 0.858157 0.646555 Si\n0.082642 0.481589 0.008603 O\n0.082849 0.153931 0.900125 O\n0.060947 0.808583 0.078753 O\n0.074171 0.582233 0.327492 O\n0.090178 0.398305 0.675722 O\n0.220044 0.158174 0.381050 O\n0.227099 0.859067 0.647216 O\n0.272901 0.640933 0.147216 O\n0.279956 0.341826 0.881050 O\n0.425829 0.917767 0.827492 O\n0.439053 0.691417 0.578753 O\n0.417151 0.346069 0.400125 O\n0.409822 0.101695 0.175722 O\n0.417358 0.018411 0.508602 O\n0.582642 0.518411 0.991398 O\n0.582849 0.846069 0.099875 O\n0.590178 0.601695 0.324278 O\n0.574171 0.417767 0.672508 O\n0.560947 0.191417 0.921247 O\n0.727099 0.140933 0.352784 O\n0.720044 0.841826 0.618950 O\n0.772901 0.359067 0.852784 O\n0.779956 0.658174 0.118950 O\n0.909822 0.898305 0.824278 O\n0.917151 0.653931 0.599875 O\n0.939053 0.308583 0.421247 O\n0.925829 0.082233 0.172508 O\n0.917358 0.981589 0.491397 O\n",
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{
"id": "mp-1226682",
"created_at": "2022-09-04T14:39:18.171815Z",
"structure_string": "Ce1 In1 Cu1 Ag1\n1.0\n0.000000 3.479164 3.479164\n3.479164 0.000000 3.479164\n3.479164 3.479164 0.000000\nCe In Cu Ag\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Ag\n",
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"density": 8.40540865530639,
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"formula_full": "Ce1 In1 Cu1 Ag1",
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]
}