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{
"id": "mp-1016932",
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"structure_string": "Mn1 Zn1 O3\n1.0\n3.738769 0.000000 0.000000\n0.000000 3.738769 0.000000\n0.000000 0.000000 3.738769\nMn Zn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"formula_full": "Mn12 O14 F10",
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{
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"created_at": "2022-09-04T14:47:10.951039Z",
"structure_string": "K4 Cr8 S16\n1.0\n3.578098 0.000000 0.000000\n0.000000 11.318511 0.000000\n0.000000 0.000000 13.099977\nK Cr S\n4 8 16\ndirect\n0.250000 0.238311 0.334717 K\n0.750000 0.761689 0.665283 K\n0.750000 0.261689 0.834717 K\n0.250000 0.738311 0.165283 K\n0.250000 0.063536 0.108249 Cr\n0.750000 0.936464 0.891751 Cr\n0.750000 0.436464 0.608249 Cr\n0.250000 0.563536 0.391751 Cr\n0.250000 0.078733 0.604759 Cr\n0.750000 0.921267 0.395241 Cr\n0.750000 0.421267 0.104759 Cr\n0.250000 0.578733 0.895241 Cr\n0.750000 0.024844 0.716642 S\n0.250000 0.975156 0.283358 S\n0.250000 0.475156 0.216642 S\n0.750000 0.524844 0.783358 S\n0.250000 0.071634 0.928367 S\n0.750000 0.928366 0.071633 S\n0.750000 0.428366 0.428367 S\n0.250000 0.571634 0.571633 S\n0.750000 0.107608 0.486913 S\n0.250000 0.892392 0.513087 S\n0.250000 0.392392 0.986913 S\n0.750000 0.607608 0.013087 S\n0.750000 0.203214 0.135420 S\n0.250000 0.796786 0.864580 S\n0.250000 0.296786 0.635420 S\n0.750000 0.703214 0.364580 S\n",
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"elements": [
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"formula_full": "K4 Cr8 S16",
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"spacegroup": 62
},
{
"id": "mp-1047301",
"created_at": "2022-09-04T14:47:10.668500Z",
"structure_string": "Al1 V1 W2 O8\n1.0\n-4.969162 0.000000 0.000000\n-0.064631 -5.463716 0.000000\n1.826609 1.694508 4.993598\nAl V W O\n1 1 2 8\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 V\n0.756259 0.820950 0.015269 W\n0.243741 0.179050 0.984731 W\n0.824203 0.559793 0.744592 O\n0.735657 0.719947 0.316394 O\n0.823607 0.077287 0.824232 O\n0.669361 0.182340 0.256038 O\n0.264343 0.280053 0.683606 O\n0.175797 0.440207 0.255408 O\n0.176393 0.922713 0.175768 O\n0.330639 0.817660 0.743962 O\n",
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"density": 7.025416182181519,
"density_atomic": 0.08851082652811967,
"volume": 135.5766347542538,
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"formula_full": "Al1 V1 W2 O8",
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{
"id": "mp-1036307",
"created_at": "2022-09-04T14:47:10.678742Z",
"structure_string": "Ca1 Hf1 Mg14 O16\n1.0\n8.709444 0.000000 0.000000\n0.000000 8.709444 0.000000\n0.000000 0.000000 4.390497\nCa Hf Mg O\n1 1 14 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.254655 0.000000 0.500000 Mg\n0.745345 0.000000 0.500000 Mg\n0.244297 0.500000 0.500000 Mg\n0.755703 0.500000 0.500000 Mg\n0.000000 0.254655 0.500000 Mg\n0.500000 0.244297 0.500000 Mg\n0.000000 0.745345 0.500000 Mg\n0.500000 0.755703 0.500000 Mg\n0.247665 0.247665 0.000000 Mg\n0.752335 0.247665 0.000000 Mg\n0.247665 0.752335 0.000000 Mg\n0.752335 0.752335 0.000000 Mg\n0.000000 0.263118 0.000000 O\n0.500000 0.248421 0.000000 O\n0.000000 0.736882 0.000000 O\n0.500000 0.751579 0.000000 O\n0.249950 0.249950 0.500000 O\n0.750050 0.249950 0.500000 O\n0.249950 0.750050 0.500000 O\n0.750050 0.750050 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.263118 0.000000 0.000000 O\n0.736882 0.000000 0.000000 O\n0.248421 0.500000 0.000000 O\n0.751579 0.500000 0.000000 O\n",
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},
{
"id": "mp-752803",
"created_at": "2022-09-04T14:47:10.680669Z",
"structure_string": "Li4 Co7 O2 F14\n1.0\n5.101912 0.000000 0.000000\n-0.099929 5.951875 0.000000\n-0.192949 -0.444930 10.491161\nLi Co O F\n4 7 2 14\ndirect\n0.542887 0.235759 0.081012 Li\n0.024696 0.742458 0.406745 Li\n0.975304 0.257542 0.593255 Li\n0.457113 0.764241 0.918988 Li\n0.000000 0.500000 0.000000 Co\n0.495187 0.746101 0.242456 Co\n0.988126 0.233666 0.258260 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.011874 0.766334 0.741740 Co\n0.504813 0.253899 0.757544 Co\n0.662280 0.746045 0.412749 O\n0.337720 0.253955 0.587251 O\n0.295420 0.711886 0.075605 F\n0.182484 0.254602 0.091031 F\n0.709679 0.018254 0.179371 F\n0.757484 0.486187 0.164764 F\n0.225522 0.495675 0.332178 F\n0.218994 0.980174 0.329899 F\n0.787743 0.247041 0.430617 F\n0.212257 0.752959 0.569383 F\n0.781006 0.019826 0.670101 F\n0.774478 0.504325 0.667822 F\n0.242516 0.513813 0.835236 F\n0.290321 0.981746 0.820629 F\n0.817516 0.745398 0.908969 F\n0.704580 0.288114 0.924395 F\n",
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"elements": [
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"formula_full": "Li4 Co7 O2 F14",
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{
"id": "mp-1173283",
"created_at": "2022-09-04T14:47:10.684370Z",
"structure_string": "Sr2 La14 Mg4 Ga12 O43\n1.0\n4.845673 0.005667 2.734729\n1.611804 4.585172 2.742662\n-0.241566 -0.025109 44.341701\nSr La Mg Ga O\n2 14 4 12 43\ndirect\n0.272105 0.759771 0.090386 Sr\n0.249196 0.725917 0.227643 Sr\n0.758792 0.272542 0.026158 La\n0.735715 0.286433 0.154922 La\n0.256207 0.744486 0.342861 La\n0.740208 0.241745 0.286691 La\n0.241029 0.751176 0.468822 La\n0.739181 0.260761 0.405766 La\n0.249211 0.748211 0.593510 La\n0.745910 0.253416 0.530751 La\n0.250923 0.749084 0.718234 La\n0.751224 0.253679 0.655269 La\n0.253093 0.749049 0.842654 La\n0.751572 0.254259 0.780033 La\n0.260101 0.746699 0.966596 La\n0.751695 0.258137 0.904137 La\n0.557269 0.958782 0.124670 Mg\n0.548636 0.970128 0.252941 Mg\n0.961347 0.549739 0.061095 Mg\n0.941602 0.578122 0.188007 Mg\n0.509012 0.994361 0.998637 Ga\n0.493638 0.002932 0.499884 Ga\n0.483986 0.998966 0.376100 Ga\n0.021572 0.470085 0.315390 Ga\n0.500382 0.000610 0.624648 Ga\n0.984950 0.505302 0.437622 Ga\n0.998430 0.501223 0.562199 Ga\n0.502896 0.004154 0.873533 Ga\n0.501603 0.001678 0.749307 Ga\n0.000761 0.501478 0.687019 Ga\n0.002663 0.502238 0.811519 Ga\n0.005822 0.504884 0.935511 Ga\n0.309135 0.683152 0.031018 O\n0.721982 0.284163 0.102222 O\n0.295110 0.694257 0.163981 O\n0.832282 0.704373 0.019504 O\n0.248493 0.175973 0.288545 O\n0.686647 0.880013 0.080347 O\n0.804438 0.253029 0.226826 O\n0.306505 0.681888 0.283444 O\n0.873748 0.647477 0.145257 O\n0.221958 0.180162 0.415721 O\n0.638856 0.913525 0.206813 O\n0.173748 0.261234 0.477159 O\n0.675650 0.297983 0.349348 O\n0.302442 0.681530 0.406584 O\n0.814323 0.669775 0.279687 O\n0.245775 0.176814 0.540550 O\n0.735807 0.809085 0.337539 O\n0.182344 0.259433 0.601976 O\n0.671028 0.320884 0.471037 O\n0.313698 0.684152 0.530546 O\n0.806693 0.733378 0.398598 O\n0.250762 0.177562 0.665144 O\n0.737283 0.833618 0.459176 O\n0.182545 0.260301 0.726799 O\n0.682023 0.317642 0.594961 O\n0.317641 0.683622 0.655375 O\n0.814465 0.741392 0.522644 O\n0.251852 0.178018 0.789711 O\n0.748186 0.824060 0.584434 O\n0.186308 0.263413 0.850928 O\n0.683537 0.318501 0.719656 O\n0.318950 0.685140 0.779868 O\n0.818908 0.741606 0.647472 O\n0.257835 0.178948 0.913858 O\n0.750029 0.825523 0.709093 O\n0.196295 0.275726 0.974495 O\n0.687562 0.317712 0.844336 O\n0.316510 0.691075 0.903952 O\n0.819728 0.742257 0.772132 O\n0.750492 0.826059 0.833581 O\n0.699891 0.311118 0.969789 O\n0.820591 0.734155 0.896474 O\n0.739214 0.831224 0.957281 O\n",
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"formula_full": "Sr2 La14 Mg4 Ga12 O43",
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{
"id": "mp-760261",
"created_at": "2022-09-04T14:47:10.705216Z",
"structure_string": "Li12 Cr4 B8 O24\n1.0\n6.039596 0.000000 0.000000\n0.000000 9.099610 0.000000\n0.000000 4.009713 8.541510\nLi Cr B O\n12 4 8 24\ndirect\n0.287774 0.865908 0.927298 Li\n0.065543 0.713208 0.814949 Li\n0.212226 0.865908 0.427298 Li\n0.434457 0.713208 0.314949 Li\n0.748555 0.620496 0.513595 Li\n0.248555 0.379504 0.986405 Li\n0.751445 0.620496 0.013595 Li\n0.251445 0.379504 0.486405 Li\n0.565543 0.286792 0.685051 Li\n0.787774 0.134092 0.572702 Li\n0.934457 0.286792 0.185051 Li\n0.712226 0.134092 0.072702 Li\n0.966217 0.767438 0.218925 Cr\n0.466217 0.232562 0.281075 Cr\n0.533783 0.767438 0.718925 Cr\n0.033783 0.232562 0.781075 Cr\n0.714517 0.949670 0.919633 B\n0.785483 0.949670 0.419633 B\n0.339775 0.546686 0.685503 B\n0.839775 0.453314 0.814497 B\n0.160225 0.546686 0.185503 B\n0.660225 0.453314 0.314497 B\n0.214517 0.050330 0.580367 B\n0.285483 0.050330 0.080367 B\n0.607472 0.823567 0.901440 O\n0.255573 0.901845 0.704986 O\n0.731164 0.932775 0.568414 O\n0.892528 0.823567 0.401440 O\n0.244427 0.901845 0.204986 O\n0.790918 0.600848 0.812947 O\n0.768836 0.932775 0.068414 O\n0.318259 0.577117 0.817084 O\n0.433374 0.677906 0.556904 O\n0.709082 0.600848 0.312947 O\n0.933374 0.322094 0.943096 O\n0.181741 0.577117 0.317084 O\n0.066626 0.677906 0.056904 O\n0.818259 0.422883 0.682916 O\n0.290918 0.399152 0.687053 O\n0.566626 0.322094 0.443096 O\n0.681741 0.422883 0.182916 O\n0.231164 0.067225 0.931586 O\n0.209082 0.399152 0.187053 O\n0.755573 0.098155 0.795014 O\n0.107472 0.176433 0.598560 O\n0.268836 0.067225 0.431586 O\n0.744427 0.098155 0.295014 O\n0.392528 0.176433 0.098560 O\n",
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