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{
"id": "mp-1202994",
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"structure_string": "Al4 Si4 H44 C12 O4\n1.0\n0.000000 8.345167 0.000000\n2.092277 0.000000 -10.096364\n-10.145511 -4.172584 0.000000\nAl Si H C O\n4 4 44 12 4\ndirect\n0.391809 0.888489 0.993125 Al\n0.398684 0.611511 0.006875 Al\n0.608191 0.111511 0.006875 Al\n0.601316 0.388489 0.993125 Al\n0.453621 0.135552 0.241889 Si\n0.211732 0.364448 0.758111 Si\n0.546379 0.864448 0.758111 Si\n0.788268 0.635552 0.241889 Si\n0.192282 0.993649 0.209750 H\n0.982532 0.506351 0.790250 H\n0.807718 0.006351 0.790250 H\n0.017468 0.493649 0.209750 H\n0.386792 0.924519 0.301113 H\n0.085680 0.575481 0.698887 H\n0.613208 0.075481 0.698887 H\n0.914320 0.424519 0.301113 H\n0.315358 0.065844 0.381414 H\n0.933944 0.434156 0.618586 H\n0.684642 0.934156 0.618586 H\n0.066056 0.565844 0.381414 H\n0.402758 0.361648 0.192786 H\n0.209972 0.138352 0.807214 H\n0.597242 0.638352 0.807214 H\n0.790028 0.861648 0.192786 H\n0.203112 0.262079 0.135378 H\n0.067735 0.237921 0.864622 H\n0.796888 0.737921 0.864622 H\n0.932265 0.762079 0.135378 H\n0.314935 0.329503 0.309822 H\n0.005114 0.170497 0.690178 H\n0.685065 0.670497 0.690178 H\n0.994886 0.829503 0.309822 H\n0.751781 0.248401 0.358404 H\n0.393377 0.251599 0.641596 H\n0.248219 0.751599 0.641596 H\n0.606623 0.748401 0.358404 H\n0.658246 0.222226 0.474541 H\n0.183706 0.277774 0.525459 H\n0.341754 0.777774 0.525459 H\n0.816294 0.722226 0.474541 H\n0.744905 0.088722 0.396537 H\n0.348367 0.411278 0.603463 H\n0.255095 0.911278 0.603463 H\n0.651633 0.588722 0.396537 H\n0.186377 0.895352 0.929436 H\n0.256940 0.604648 0.070564 H\n0.813623 0.104648 0.070564 H\n0.743060 0.395352 0.929436 H\n0.475038 0.801138 0.113172 H\n0.361866 0.698862 0.886828 H\n0.524962 0.198862 0.886828 H\n0.638134 0.301138 0.113172 H\n0.324783 0.017379 0.285952 C\n0.038831 0.482621 0.714048 C\n0.675217 0.982621 0.714048 C\n0.961169 0.517379 0.285952 C\n0.332304 0.286377 0.216045 C\n0.116259 0.213623 0.783955 C\n0.667696 0.713623 0.783955 C\n0.883741 0.786377 0.216045 C\n0.673303 0.177617 0.380312 C\n0.292991 0.322383 0.619688 C\n0.326697 0.822383 0.619688 C\n0.707009 0.677617 0.380312 C\n0.479763 0.063738 0.098791 O\n0.380972 0.436262 0.901209 O\n0.520237 0.936262 0.901209 O\n0.619028 0.563738 0.098791 O\n",
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"formula_full": "Al4 Si4 H44 C12 O4",
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{
"id": "mp-772874",
"created_at": "2022-09-04T14:41:30.222191Z",
"structure_string": "Ca6 Bi12 O30\n1.0\n5.798394 6.494663 0.000000\n-5.798394 6.494663 0.000000\n0.000000 0.011317 11.349713\nCa Bi O\n6 12 30\ndirect\n0.027445 0.303881 0.428685 Ca\n0.303881 0.027445 0.928685 Ca\n0.323556 0.676444 0.750000 Ca\n0.676444 0.323556 0.250000 Ca\n0.696119 0.972555 0.071315 Ca\n0.972555 0.696119 0.571315 Ca\n0.025343 0.298546 0.068147 Bi\n0.013917 0.650581 0.252028 Bi\n0.298546 0.025343 0.568147 Bi\n0.355414 0.638771 0.442924 Bi\n0.361229 0.644586 0.057076 Bi\n0.349419 0.986083 0.247972 Bi\n0.650581 0.013917 0.752028 Bi\n0.638771 0.355414 0.942924 Bi\n0.644586 0.361229 0.557076 Bi\n0.701454 0.974657 0.431853 Bi\n0.986083 0.349419 0.747972 Bi\n0.974657 0.701454 0.931853 Bi\n0.135183 0.541107 0.087886 O\n0.134850 0.539815 0.408905 O\n0.102927 0.216565 0.884169 O\n0.078351 0.567757 0.752061 O\n0.216565 0.102927 0.384169 O\n0.209247 0.793819 0.573729 O\n0.115818 0.217618 0.618717 O\n0.245936 0.754064 0.250000 O\n0.206181 0.790753 0.926271 O\n0.217618 0.115818 0.118717 O\n0.432243 0.921649 0.747939 O\n0.451057 0.533733 0.606358 O\n0.458893 0.864817 0.412114 O\n0.539815 0.134850 0.908905 O\n0.466267 0.548943 0.893642 O\n0.533733 0.451057 0.106358 O\n0.460185 0.865150 0.091095 O\n0.541107 0.135183 0.587886 O\n0.548943 0.466267 0.393642 O\n0.567757 0.078351 0.252061 O\n0.782382 0.884182 0.881283 O\n0.793819 0.209247 0.073729 O\n0.754064 0.245936 0.750000 O\n0.884182 0.782382 0.381283 O\n0.790753 0.206181 0.426271 O\n0.783435 0.897073 0.615831 O\n0.921649 0.432243 0.247939 O\n0.897073 0.783435 0.115831 O\n0.865150 0.460185 0.591095 O\n0.864817 0.458893 0.912114 O\n",
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"formula_full": "Ca6 Bi12 O30",
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{
"id": "mp-1216861",
"created_at": "2022-09-04T14:41:28.288002Z",
"structure_string": "V4 N4 O24 F4\n1.0\n0.000000 0.000000 -8.078937\n0.000000 -9.463542 0.000000\n-11.180905 0.000000 0.000000\nV N O F\n4 4 24 4\ndirect\n0.500000 0.500000 0.250043 V\n0.000000 0.500000 0.749957 V\n0.500000 0.000000 0.680330 V\n0.000000 0.000000 0.319670 V\n0.750000 0.740906 0.000000 N\n0.250000 0.259094 0.000000 N\n0.250000 0.771793 0.500000 N\n0.750000 0.228207 0.500000 N\n0.365400 0.678244 0.225175 O\n0.634600 0.321756 0.225175 O\n0.865400 0.321756 0.774825 O\n0.134600 0.678244 0.774825 O\n0.512469 0.710166 0.270837 O\n0.487531 0.289834 0.270837 O\n0.012469 0.289834 0.729163 O\n0.987531 0.710166 0.729163 O\n0.047617 0.833908 0.232583 O\n0.952383 0.166092 0.232583 O\n0.547617 0.166092 0.767417 O\n0.452383 0.833908 0.767417 O\n0.500000 0.000000 0.267223 O\n0.000000 0.000000 0.732777 O\n0.876704 0.862879 0.235426 O\n0.123296 0.137121 0.235426 O\n0.376704 0.137121 0.764574 O\n0.623296 0.862879 0.764574 O\n0.581857 0.496635 0.421613 O\n0.418143 0.503365 0.421613 O\n0.081857 0.503365 0.578387 O\n0.918143 0.496635 0.578387 O\n0.000000 0.500000 0.189430 O\n0.500000 0.500000 0.810570 O\n0.500000 0.500000 0.089233 F\n0.000000 0.500000 0.910767 F\n0.500000 0.000000 0.521342 F\n0.000000 0.000000 0.478658 F\n",
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{
"id": "mp-1196847",
"created_at": "2022-09-04T14:39:35.176524Z",
"structure_string": "Mg20 Nb4 B12 O48\n1.0\n9.432984 0.000000 0.000000\n0.000000 9.473180 0.000000\n0.000000 0.000000 9.566238\nMg Nb B O\n20 4 12 48\ndirect\n0.427346 0.625427 0.584273 Mg\n0.072654 0.125427 0.915727 Mg\n0.572654 0.374573 0.084273 Mg\n0.927346 0.874573 0.415727 Mg\n0.572654 0.374573 0.415727 Mg\n0.927346 0.874573 0.084273 Mg\n0.427346 0.625427 0.915727 Mg\n0.072654 0.125427 0.584273 Mg\n0.321245 0.901712 0.075956 Mg\n0.178755 0.401712 0.424044 Mg\n0.678755 0.098288 0.575956 Mg\n0.821245 0.598288 0.924044 Mg\n0.678755 0.098288 0.924044 Mg\n0.821245 0.598288 0.575956 Mg\n0.321245 0.901712 0.424044 Mg\n0.178755 0.401712 0.075956 Mg\n0.808605 0.601494 0.250000 Mg\n0.691395 0.101494 0.250000 Mg\n0.191395 0.398506 0.750000 Mg\n0.308605 0.898506 0.750000 Mg\n0.412653 0.597563 0.250000 Nb\n0.087347 0.097563 0.250000 Nb\n0.587347 0.402437 0.750000 Nb\n0.912653 0.902437 0.750000 Nb\n0.129380 0.678198 0.250000 B\n0.370620 0.178198 0.250000 B\n0.870620 0.321802 0.750000 B\n0.629380 0.821802 0.750000 B\n0.126529 0.673116 0.588509 B\n0.373471 0.173116 0.911491 B\n0.873471 0.326884 0.088509 B\n0.626529 0.826884 0.411491 B\n0.873471 0.326884 0.411491 B\n0.626529 0.826884 0.088509 B\n0.126529 0.673116 0.911491 B\n0.373471 0.173116 0.588509 B\n0.159895 0.535927 0.250000 O\n0.340105 0.035927 0.250000 O\n0.840105 0.464073 0.750000 O\n0.659895 0.964073 0.750000 O\n0.997150 0.735936 0.250000 O\n0.502850 0.235936 0.250000 O\n0.002850 0.264064 0.750000 O\n0.497150 0.764064 0.750000 O\n0.254572 0.761479 0.250000 O\n0.245428 0.261479 0.250000 O\n0.745428 0.238521 0.750000 O\n0.754572 0.738521 0.750000 O\n0.130521 0.528913 0.588270 O\n0.369479 0.028913 0.911730 O\n0.869479 0.471087 0.088270 O\n0.630521 0.971087 0.411730 O\n0.869479 0.471087 0.411730 O\n0.630521 0.971087 0.088270 O\n0.130521 0.528913 0.911730 O\n0.369479 0.028913 0.588270 O\n0.250755 0.752503 0.583527 O\n0.249245 0.252503 0.916473 O\n0.749245 0.247497 0.083527 O\n0.750755 0.747497 0.416473 O\n0.749245 0.247497 0.416473 O\n0.750755 0.747497 0.083527 O\n0.250755 0.752503 0.916473 O\n0.249245 0.252503 0.583527 O\n0.493012 0.758631 0.091679 O\n0.006988 0.258631 0.408321 O\n0.506988 0.241369 0.591679 O\n0.993012 0.741369 0.908321 O\n0.506988 0.241369 0.908321 O\n0.993012 0.741369 0.591679 O\n0.493012 0.758631 0.408321 O\n0.006988 0.258631 0.091679 O\n0.895874 0.020115 0.250000 O\n0.604126 0.520115 0.250000 O\n0.104126 0.979885 0.750000 O\n0.395874 0.479885 0.750000 O\n0.119110 0.990805 0.083346 O\n0.380890 0.490805 0.416654 O\n0.880890 0.009195 0.583346 O\n0.619110 0.509195 0.916654 O\n0.880890 0.009195 0.916654 O\n0.619110 0.509195 0.583346 O\n0.119110 0.990805 0.416654 O\n0.380890 0.490805 0.083346 O\n",
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{
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{
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"updated_at": "2021-11-28T01:36:36.788000Z",
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},
{
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"formula_full": "Gd4 P8 H36 O40",
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]
}