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{
"id": "mp-1202900",
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"structure_string": "Al39 Fe12\n1.0\n0.000000 -8.039575 0.000000\n-7.349756 4.019787 2.348348\n0.001718 0.000000 -12.441743\nAl Fe\n39 12\ndirect\n0.065863 0.131725 0.173372 Al\n0.934137 0.868275 0.826628 Al\n0.322905 0.645810 0.281501 Al\n0.677095 0.354190 0.718499 Al\n0.237425 0.474850 0.534396 Al\n0.762575 0.525150 0.465604 Al\n0.073833 0.147666 0.580435 Al\n0.926167 0.852334 0.419565 Al\n0.240900 0.481800 0.961666 Al\n0.759100 0.518200 0.038334 Al\n0.479179 0.958358 0.829529 Al\n0.520821 0.041642 0.170471 Al\n0.500000 0.000000 0.500000 Al\n0.304748 0.609495 0.772768 Al\n0.695252 0.390505 0.227232 Al\n0.086965 0.173931 0.788458 Al\n0.913035 0.826069 0.211542 Al\n0.967846 0.371140 0.110620 Al\n0.403294 0.371140 0.110620 Al\n0.032154 0.628860 0.889380 Al\n0.596706 0.628860 0.889380 Al\n0.155764 0.735526 0.109709 Al\n0.579762 0.735526 0.109709 Al\n0.844236 0.264474 0.890291 Al\n0.420238 0.264474 0.890291 Al\n0.958072 0.356414 0.334262 Al\n0.398341 0.356414 0.334262 Al\n0.041928 0.643586 0.665738 Al\n0.601659 0.643586 0.665738 Al\n0.258558 0.983799 0.329907 Al\n0.725241 0.983799 0.329907 Al\n0.741442 0.016201 0.670093 Al\n0.274759 0.016201 0.670093 Al\n0.143671 0.726600 0.478095 Al\n0.582929 0.726600 0.478095 Al\n0.856329 0.273400 0.521905 Al\n0.417071 0.273400 0.521905 Al\n0.749848 0.000000 0.000000 Al\n0.250152 0.000000 0.000000 Al\n0.085486 0.170972 0.383035 Fe\n0.914514 0.829028 0.616965 Fe\n0.401480 0.802961 0.623398 Fe\n0.598520 0.197039 0.376602 Fe\n0.090678 0.181355 0.987867 Fe\n0.909322 0.818645 0.012133 Fe\n0.402193 0.804386 0.985274 Fe\n0.597807 0.195614 0.014726 Fe\n0.026157 0.639816 0.277846 Fe\n0.613659 0.639816 0.277846 Fe\n0.973843 0.360184 0.722154 Fe\n0.386341 0.360184 0.722154 Fe\n",
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},
{
"id": "mp-772997",
"created_at": "2022-09-04T14:48:28.238020Z",
"structure_string": "Li8 Ti7 Nb6 O30\n1.0\n2.597906 -4.499705 0.000000\n2.597906 4.499705 0.000000\n0.000000 0.000000 24.342573\nLi Ti Nb O\n8 7 6 30\ndirect\n0.666667 0.333333 0.077510 Li\n0.666667 0.333333 0.371266 Li\n0.666667 0.333333 0.630883 Li\n0.666667 0.333333 0.921699 Li\n0.000000 0.000000 0.794407 Li\n0.000000 0.000000 0.527832 Li\n0.333333 0.666667 0.207525 Li\n0.333333 0.666667 0.472458 Li\n0.000000 0.000000 0.290571 Ti\n0.000000 0.000000 0.894252 Ti\n0.000000 0.000000 0.011004 Ti\n0.000000 0.000000 0.690395 Ti\n0.333333 0.666667 0.983088 Ti\n0.333333 0.666667 0.712078 Ti\n0.333333 0.666667 0.310487 Ti\n0.000000 0.000000 0.404622 Nb\n0.666667 0.333333 0.203770 Nb\n0.666667 0.333333 0.500173 Nb\n0.666667 0.333333 0.801331 Nb\n0.333333 0.666667 0.105065 Nb\n0.333333 0.666667 0.595664 Nb\n0.588144 0.003789 0.151881 O\n0.675159 0.967577 0.347802 O\n0.676983 0.000519 0.746016 O\n0.959770 0.292682 0.450847 O\n0.648831 0.696062 0.045516 O\n0.047230 0.351169 0.045516 O\n0.707318 0.667087 0.450847 O\n0.999481 0.676464 0.746016 O\n0.292418 0.324841 0.347802 O\n0.996211 0.584355 0.151881 O\n0.323536 0.323017 0.746016 O\n0.032423 0.707582 0.347802 O\n0.001499 0.626639 0.549295 O\n0.415645 0.411856 0.151881 O\n0.031103 0.716715 0.951314 O\n0.303938 0.952770 0.045516 O\n0.916402 0.248932 0.848315 O\n0.332913 0.040230 0.450847 O\n0.297627 0.955296 0.652662 O\n0.010173 0.345925 0.254324 O\n0.332530 0.083598 0.848315 O\n0.044704 0.342332 0.652662 O\n0.335752 0.989827 0.254324 O\n0.625140 0.998501 0.549295 O\n0.283285 0.314388 0.951314 O\n0.685612 0.968897 0.951314 O\n0.373361 0.374860 0.549295 O\n0.654075 0.664248 0.254324 O\n0.657668 0.702373 0.652662 O\n0.751068 0.667470 0.848315 O\n",
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"formula_full": "Li8 Ti7 Nb6 O30",
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{
"id": "mp-651087",
"created_at": "2022-09-04T14:39:10.455033Z",
"structure_string": "Gd13 Ge6 O31 F1\n1.0\n5.653660 -8.045827 0.000000\n5.653660 8.045827 0.000000\n-5.796505 0.000000 7.943534\nGd Ge O F\n13 6 31 1\ndirect\n0.057563 0.724660 0.148383 Gd\n0.724660 0.148383 0.057563 Gd\n0.530885 0.670592 0.814779 Gd\n0.994945 0.994945 0.994945 Gd\n0.939348 0.274374 0.845318 Gd\n0.845318 0.939348 0.274374 Gd\n0.475296 0.323526 0.171813 Gd\n0.274374 0.845318 0.939348 Gd\n0.323526 0.171813 0.475296 Gd\n0.148383 0.057563 0.724660 Gd\n0.670592 0.814779 0.530885 Gd\n0.171813 0.475296 0.323526 Gd\n0.814779 0.530885 0.670592 Gd\n0.657897 0.443181 0.930708 Ge\n0.066138 0.339808 0.553214 Ge\n0.553214 0.066138 0.339808 Ge\n0.339808 0.553214 0.066138 Ge\n0.930708 0.657897 0.443181 Ge\n0.443181 0.930708 0.657897 Ge\n0.823246 0.444035 0.893361 O\n0.749740 0.661065 0.068777 O\n0.333689 0.927892 0.247833 O\n0.490830 0.402291 0.748274 O\n0.251505 0.496817 0.584586 O\n0.402291 0.748274 0.490830 O\n0.444035 0.893361 0.823246 O\n0.591983 0.307729 0.005737 O\n0.990737 0.405951 0.686031 O\n0.247833 0.333689 0.927892 O\n0.686031 0.990737 0.405951 O\n0.893361 0.823246 0.444035 O\n0.405951 0.686031 0.990737 O\n0.927892 0.247833 0.333689 O\n0.307729 0.005737 0.591983 O\n0.584586 0.251505 0.496817 O\n0.069088 0.977021 0.244724 O\n0.098974 0.169859 0.549611 O\n0.496817 0.584586 0.251505 O\n0.549611 0.098974 0.169859 O\n0.022369 0.757129 0.928830 O\n0.928830 0.022369 0.757129 O\n0.684607 0.684607 0.684607 O\n0.977021 0.244723 0.069088 O\n0.005737 0.591983 0.307729 O\n0.169859 0.549611 0.098974 O\n0.068777 0.749740 0.661065 O\n0.748274 0.490830 0.402291 O\n0.244723 0.069088 0.977021 O\n0.757129 0.928830 0.022369 O\n0.661065 0.068777 0.749740 O\n0.297354 0.297354 0.297354 F\n",
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"F"
],
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"density": 6.881956355291719,
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"formula_full": "Gd13 Ge6 O31 F1",
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},
{
"id": "mp-17880",
"created_at": "2022-09-04T14:47:08.865441Z",
"structure_string": "Al39 Ru12\n1.0\n4.109123 7.974228 0.000000\n-4.109123 7.974228 0.000000\n0.000000 3.905141 12.188718\nAl Ru\n39 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.749490 0.250510 0.000000 Al\n0.250510 0.749490 0.000000 Al\n0.932413 0.932413 0.174558 Al\n0.067587 0.067587 0.825442 Al\n0.677576 0.677576 0.283116 Al\n0.322424 0.322424 0.716884 Al\n0.764137 0.764137 0.539102 Al\n0.235863 0.235863 0.460898 Al\n0.927872 0.927872 0.580212 Al\n0.072128 0.072128 0.419788 Al\n0.760558 0.760558 0.956926 Al\n0.239442 0.239442 0.043074 Al\n0.518631 0.518631 0.829556 Al\n0.481369 0.481369 0.170444 Al\n0.690063 0.690063 0.773682 Al\n0.309937 0.309937 0.226318 Al\n0.917682 0.917682 0.785760 Al\n0.082318 0.082318 0.214240 Al\n0.593805 0.034439 0.109849 Al\n0.965561 0.406195 0.890151 Al\n0.406195 0.965561 0.890151 Al\n0.034439 0.593805 0.109849 Al\n0.416807 0.849145 0.108950 Al\n0.150855 0.583193 0.891050 Al\n0.583193 0.150855 0.891050 Al\n0.849145 0.416807 0.108950 Al\n0.599327 0.042867 0.335326 Al\n0.957133 0.400673 0.664674 Al\n0.400673 0.957133 0.664674 Al\n0.042867 0.599327 0.335326 Al\n0.276630 0.742053 0.329524 Al\n0.257947 0.723370 0.670476 Al\n0.723370 0.257947 0.670476 Al\n0.742053 0.276630 0.329524 Al\n0.413228 0.858837 0.480461 Al\n0.141163 0.586772 0.519539 Al\n0.586772 0.141163 0.519539 Al\n0.858837 0.413228 0.480461 Al\n0.914703 0.914703 0.382984 Ru\n0.085297 0.085297 0.617016 Ru\n0.598627 0.598627 0.624461 Ru\n0.401373 0.401373 0.375539 Ru\n0.908101 0.908101 0.987550 Ru\n0.091899 0.091899 0.012450 Ru\n0.599513 0.599513 0.984689 Ru\n0.400487 0.400487 0.015311 Ru\n0.384434 0.976943 0.278414 Ru\n0.023057 0.615566 0.721586 Ru\n0.615566 0.023057 0.721586 Ru\n0.976943 0.384434 0.278414 Ru\n",
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{
"id": "mp-1181345",
"created_at": "2022-09-04T14:47:16.775577Z",
"structure_string": "Nd2 Te1 Mo6 O42\n1.0\n8.094440 -0.373679 -3.233861\n-3.701401 10.159310 -1.854707\n-0.236206 0.204782 11.112655\nNd Te Mo O\n2 1 6 42\ndirect\n0.052137 0.263243 0.754316 Nd\n0.947863 0.736757 0.245684 Nd\n0.500000 0.500000 0.500000 Te\n0.586513 0.221181 0.459035 Mo\n0.413487 0.778819 0.540965 Mo\n0.639502 0.417735 0.270409 Mo\n0.360498 0.582265 0.729591 Mo\n0.521100 0.680045 0.295226 Mo\n0.478900 0.319955 0.704774 Mo\n0.650839 0.426260 0.624767 O\n0.349161 0.573740 0.375233 O\n0.444058 0.338741 0.353619 O\n0.555942 0.661259 0.646381 O\n0.751285 0.342118 0.406780 O\n0.248715 0.657882 0.593220 O\n0.427424 0.186290 0.538618 O\n0.572576 0.813710 0.461382 O\n0.777319 0.195422 0.585744 O\n0.222681 0.804578 0.414256 O\n0.480453 0.081743 0.321586 O\n0.519547 0.918257 0.678414 O\n0.681563 0.587862 0.450095 O\n0.318437 0.412138 0.549905 O\n0.472865 0.506051 0.188462 O\n0.527135 0.493949 0.811538 O\n0.544879 0.285801 0.125944 O\n0.455121 0.714199 0.874056 O\n0.833201 0.534689 0.265937 O\n0.166799 0.465311 0.734063 O\n0.729930 0.768696 0.288100 O\n0.270070 0.231304 0.711900 O\n0.353562 0.712852 0.175865 O\n0.646438 0.287148 0.824135 O\n0.955148 0.938580 0.610732 O\n0.044852 0.061420 0.389268 O\n0.206854 0.095199 0.903773 O\n0.793146 0.904801 0.096227 O\n0.085609 0.462920 0.950244 O\n0.914391 0.537080 0.049756 O\n0.981260 0.142391 0.414762 O\n0.018740 0.857609 0.585238 O\n0.995216 0.524773 0.894593 O\n0.004784 0.475227 0.105407 O\n0.946342 0.198010 0.930269 O\n0.053658 0.801990 0.069731 O\n0.111229 0.167091 0.125854 O\n0.888771 0.832909 0.874146 O\n0.702497 0.967955 0.109509 O\n0.297503 0.032045 0.890491 O\n0.964704 0.175305 0.048046 O\n0.035296 0.824695 0.951954 O\n",
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"formula_full": "Nd2 Te1 Mo6 O42",
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{
"id": "mp-776609",
"created_at": "2022-09-04T14:47:18.798921Z",
"structure_string": "Li6 Mn9 B9 O27\n1.0\n-8.257970 0.000000 0.000000\n4.107190 7.828380 0.000000\n-0.079607 -3.884210 -8.667353\nLi Mn B O\n6 9 9 27\ndirect\n0.291634 0.280713 0.586329 Li\n0.303098 0.273438 0.260231 Li\n0.981729 0.699876 0.077288 Li\n0.978542 0.696887 0.738763 Li\n0.725759 0.021365 0.497705 Li\n0.710742 0.017483 0.836046 Li\n0.009757 0.379624 0.456156 Mn\n0.011893 0.353557 0.116672 Mn\n0.013138 0.362819 0.786810 Mn\n0.339515 0.994173 0.662385 Mn\n0.361326 0.996682 0.995180 Mn\n0.382084 0.983886 0.326383 Mn\n0.625860 0.646774 0.888261 Mn\n0.622189 0.631290 0.210070 Mn\n0.637522 0.644503 0.550852 Mn\n0.994593 0.987937 0.997057 B\n0.331851 0.664219 0.066284 B\n0.328336 0.669331 0.720093 B\n0.011266 0.004158 0.337491 B\n0.346909 0.669171 0.379208 B\n0.667676 0.331524 0.276611 B\n0.662844 0.334458 0.606376 B\n0.672851 0.339737 0.951075 B\n0.988116 0.998821 0.666941 B\n0.262834 0.791219 0.111529 O\n0.248826 0.784023 0.760694 O\n0.278797 0.792714 0.414633 O\n0.213268 0.478369 0.987560 O\n0.214383 0.475708 0.645256 O\n0.230234 0.478771 0.324310 O\n0.176658 0.113199 0.684216 O\n0.184549 0.097986 0.050985 O\n0.206395 0.099098 0.365596 O\n0.523816 0.738474 0.105127 O\n0.520091 0.746961 0.753749 O\n0.542739 0.744773 0.402195 O\n0.573743 0.438573 0.645784 O\n0.599432 0.456383 0.307859 O\n0.603990 0.464128 0.001299 O\n0.532643 0.143328 0.221552 O\n0.552442 0.148508 0.877082 O\n0.555485 0.137923 0.530865 O\n0.905013 0.812873 0.263072 O\n0.914593 0.810672 0.630115 O\n0.913560 0.793181 0.937304 O\n0.854199 0.416291 0.640441 O\n0.853386 0.389109 0.297684 O\n0.862978 0.412607 0.974842 O\n0.868090 0.073888 0.686719 O\n0.887102 0.070392 0.003012 O\n0.921460 0.108427 0.386249 O\n",
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"formula_full": "Li6 Mn9 B9 O27",
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},
{
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