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{
"id": "mp-1198045",
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"structure_string": "Ni4 H36 C16 N12 O24\n1.0\n-8.478828 0.000000 0.000000\n0.000000 0.000000 -8.930281\n0.000000 -11.860156 0.000000\nNi H C N O\n4 36 16 12 24\ndirect\n0.248242 0.250000 0.750000 Ni\n0.251758 0.250000 0.250000 Ni\n0.751758 0.750000 0.250000 Ni\n0.748242 0.750000 0.750000 Ni\n0.250000 0.326309 0.000000 H\n0.250000 0.173691 0.500000 H\n0.750000 0.673691 0.000000 H\n0.750000 0.826309 0.500000 H\n0.908866 0.070711 0.790645 H\n0.591134 0.070711 0.209355 H\n0.908866 0.429289 0.709355 H\n0.591134 0.429289 0.290645 H\n0.091134 0.929289 0.209355 H\n0.408866 0.929289 0.790645 H\n0.091134 0.570711 0.290645 H\n0.408866 0.570711 0.709355 H\n0.082643 0.759417 0.877053 H\n0.417357 0.759417 0.122947 H\n0.082643 0.740583 0.622947 H\n0.417357 0.740583 0.377053 H\n0.917357 0.240583 0.122947 H\n0.582643 0.240583 0.877053 H\n0.917357 0.259417 0.377053 H\n0.582643 0.259417 0.622947 H\n0.165860 0.932600 0.923969 H\n0.334140 0.932600 0.076031 H\n0.165860 0.567400 0.576031 H\n0.334140 0.567400 0.423969 H\n0.834140 0.067400 0.076031 H\n0.665860 0.067400 0.923969 H\n0.834140 0.432600 0.423969 H\n0.665860 0.432600 0.576031 H\n0.315893 0.537244 0.058227 H\n0.184107 0.537244 0.941773 H\n0.315893 0.962756 0.441773 H\n0.184107 0.962756 0.558227 H\n0.684107 0.462756 0.941773 H\n0.815893 0.462756 0.058227 H\n0.684107 0.037244 0.558227 H\n0.815893 0.037244 0.441773 H\n0.250000 0.203207 0.000000 C\n0.250000 0.296793 0.500000 C\n0.750000 0.796793 0.000000 C\n0.750000 0.703207 0.500000 C\n0.979563 0.013801 0.724803 C\n0.520437 0.013801 0.275197 C\n0.979563 0.486199 0.775197 C\n0.520437 0.486199 0.224803 C\n0.020437 0.986199 0.275197 C\n0.479563 0.986199 0.724803 C\n0.020437 0.513801 0.224803 C\n0.479563 0.513801 0.775197 C\n0.250000 0.743831 0.000000 C\n0.250000 0.756169 0.500000 C\n0.750000 0.256169 0.000000 C\n0.750000 0.243831 0.500000 C\n0.157499 0.818440 0.928204 N\n0.342501 0.818440 0.071796 N\n0.157499 0.681560 0.571796 N\n0.342501 0.681560 0.428204 N\n0.842501 0.181560 0.071796 N\n0.657499 0.181560 0.928204 N\n0.842501 0.318440 0.428204 N\n0.657499 0.318440 0.571796 N\n0.250000 0.594278 0.000000 N\n0.250000 0.905722 0.500000 N\n0.750000 0.405722 0.000000 N\n0.750000 0.094278 0.500000 N\n0.242875 0.136267 0.905544 O\n0.257125 0.136267 0.094456 O\n0.242875 0.363733 0.594456 O\n0.257125 0.363733 0.405544 O\n0.757125 0.863733 0.094456 O\n0.742875 0.863733 0.905544 O\n0.757125 0.636267 0.405544 O\n0.742875 0.636267 0.594456 O\n0.100124 0.080395 0.685606 O\n0.399876 0.080395 0.314394 O\n0.100124 0.419605 0.814394 O\n0.399876 0.419605 0.185606 O\n0.899876 0.919605 0.314394 O\n0.600124 0.919605 0.685606 O\n0.899876 0.580395 0.185606 O\n0.600124 0.580395 0.814394 O\n0.936239 0.884443 0.692528 O\n0.563761 0.884443 0.307472 O\n0.936239 0.615557 0.807472 O\n0.563761 0.615557 0.192528 O\n0.063761 0.115557 0.307472 O\n0.436239 0.115557 0.692528 O\n0.063761 0.384443 0.192528 O\n0.436239 0.384443 0.807472 O\n",
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"formula_full": "Ni4 H36 C16 N12 O24",
"formula_reduced": "NiH9C4(NO2)3",
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{
"id": "mp-7914",
"created_at": "2022-09-04T14:48:26.458059Z",
"structure_string": "Na1 Sc1 O2\n1.0\n5.554341 -1.592558 0.000000\n5.554341 1.592558 0.000000\n5.097717 0.000000 2.720335\nNa Sc O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.734392 0.734392 0.734392 O\n0.265608 0.265608 0.265608 O\n",
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"formula_full": "Na1 Sc1 O2",
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{
"id": "mp-675250",
"created_at": "2022-09-04T14:48:26.452970Z",
"structure_string": "K2 Bi4 F14\n1.0\n4.321345 0.000000 0.000000\n1.663670 3.992287 0.000000\n1.801182 1.213599 20.789566\nK Bi F\n2 4 14\ndirect\n0.630991 0.650356 0.161119 K\n0.352401 0.379552 0.331607 K\n0.928877 0.088580 0.998847 Bi\n0.857196 0.103800 0.503158 Bi\n0.548067 0.761167 0.671012 Bi\n0.235917 0.416625 0.831762 Bi\n0.721704 0.589974 0.036353 F\n0.994854 0.996212 0.105301 F\n0.691422 0.643597 0.524559 F\n0.685452 0.754003 0.272936 F\n0.937743 0.091958 0.400567 F\n0.467871 0.211240 0.722201 F\n0.347277 0.301857 0.472039 F\n0.461392 0.185287 0.598626 F\n0.163638 0.885167 0.879379 F\n0.067253 0.842922 0.630571 F\n0.151402 0.826985 0.754839 F\n0.769238 0.507317 0.787919 F\n0.825455 0.485625 0.912398 F\n0.375187 0.251107 0.983141 F\n",
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{
"id": "mp-757661",
"created_at": "2022-09-04T14:48:26.452696Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n5.654938 0.000000 0.000000\n0.000000 5.654960 0.000001\n0.000001 0.000003 7.990067\nLi Ni P O\n4 4 4 16\ndirect\n0.000000 0.228461 0.000000 Li\n0.999999 0.771538 0.500000 Li\n0.228460 0.000000 0.250000 Li\n0.771538 0.000000 0.750000 Li\n0.237952 0.500005 0.250000 Ni\n0.500003 0.237946 0.999994 Ni\n0.499998 0.762056 0.499998 Ni\n0.762053 0.500003 0.750003 Ni\n0.253661 0.253661 0.625001 P\n0.253661 0.746337 0.875000 P\n0.746340 0.253662 0.375001 P\n0.746340 0.746337 0.125000 P\n0.971232 0.254056 0.263191 O\n0.971231 0.745943 0.236809 O\n0.254056 0.971230 0.986810 O\n0.254055 0.028769 0.513191 O\n0.254362 0.518280 0.989619 O\n0.254361 0.481719 0.510381 O\n0.518281 0.254360 0.260381 O\n0.518281 0.745638 0.239619 O\n0.481719 0.254362 0.739619 O\n0.481718 0.745638 0.760380 O\n0.745636 0.481719 0.489619 O\n0.745637 0.518280 0.010382 O\n0.745945 0.028769 0.486809 O\n0.745944 0.971229 0.013191 O\n0.028768 0.254055 0.736809 O\n0.028768 0.745944 0.763192 O\n",
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"formula_full": "Li4 Ni4 P4 O16",
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{
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"created_at": "2022-09-04T14:48:26.449414Z",
"structure_string": "Zn20 Pd6\n1.0\n6.518141 4.553238 0.000000\n-6.518141 4.553238 0.000000\n0.000000 4.338418 6.501228\nZn Pd\n20 6\ndirect\n0.006250 0.006250 0.781608 Zn\n0.774975 0.774975 0.222167 Zn\n0.220347 0.001328 0.993776 Zn\n0.001328 0.220347 0.993776 Zn\n0.267773 0.267773 0.391247 Zn\n0.008220 0.731357 0.649301 Zn\n0.731357 0.008220 0.649301 Zn\n0.656657 0.656657 0.627767 Zn\n0.373578 0.642473 0.351988 Zn\n0.642473 0.373578 0.351988 Zn\n0.350365 0.732628 0.984580 Zn\n0.616484 0.260018 0.729710 Zn\n0.351602 0.006155 0.277592 Zn\n0.732628 0.350365 0.984580 Zn\n0.006155 0.351602 0.277592 Zn\n0.260018 0.616484 0.729710 Zn\n0.645013 0.645013 0.993292 Zn\n0.002230 0.651379 0.351458 Zn\n0.651379 0.002230 0.351458 Zn\n0.356285 0.356285 0.006750 Zn\n0.997290 0.363951 0.633629 Pd\n0.363951 0.997290 0.633629 Pd\n0.999455 0.999455 0.344185 Pd\n0.357251 0.357251 0.658871 Pd\n0.641091 0.985844 0.015023 Pd\n0.985844 0.641091 0.015023 Pd\n",
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{
"id": "mp-1247559",
"created_at": "2022-09-04T14:48:26.448869Z",
"structure_string": "Mg2 Ti3 Mo1 S8\n1.0\n6.327121 -0.001211 3.650732\n2.109762 5.987113 3.647496\n-0.008761 -0.010181 7.316686\nMg Ti Mo S\n2 3 1 8\ndirect\n0.875110 0.875989 0.874431 Mg\n0.124892 0.124016 0.125569 Mg\n0.500001 0.500024 0.499972 Ti\n0.500005 0.499997 0.999998 Ti\n0.999997 0.499988 0.500018 Ti\n0.499997 0.999989 0.500009 Mo\n0.741770 0.738500 0.741438 S\n0.258457 0.261542 0.721549 S\n0.259497 0.721598 0.259570 S\n0.721932 0.261543 0.258413 S\n0.740488 0.278407 0.740418 S\n0.278064 0.738446 0.741594 S\n0.258233 0.261494 0.258573 S\n0.741563 0.738461 0.278449 S\n",
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{
"id": "mp-14092",
"created_at": "2022-09-04T14:48:26.446614Z",
"structure_string": "Al2 Ag2 Te4\n1.0\n-3.209270 3.209270 6.120615\n3.209270 -3.209270 6.120615\n3.209270 3.209270 -6.120615\nAl Ag Te\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Ag\n0.145890 0.125000 0.520890 Te\n0.875000 0.395890 0.020890 Te\n0.375000 0.854110 0.979110 Te\n0.604110 0.625000 0.479110 Te\n",
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{
"id": "mp-1233141",
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"structure_string": "La4 Mg1 Ga2 Fe2 O12\n1.0\n-6.157546 -0.046926 0.137486\n0.157568 -0.002251 -5.602692\n-0.066610 -8.017673 -0.005657\nLa Mg Ga Fe O\n4 1 2 2 12\ndirect\n0.433322 0.480759 0.741136 La\n0.926862 0.022715 0.745142 La\n0.575620 0.557202 0.259731 La\n0.118341 0.961496 0.293465 La\n0.748127 0.116806 0.123470 Mg\n0.005398 0.520250 0.996767 Ga\n0.522077 0.009212 0.506986 Ga\n0.996817 0.487748 0.508392 Fe\n0.389322 0.983787 0.950112 Fe\n0.535594 0.901586 0.743601 O\n0.041527 0.617480 0.756678 O\n0.488152 0.104652 0.262488 O\n0.945172 0.362749 0.242242 O\n0.687298 0.302986 0.555430 O\n0.170585 0.225662 0.941667 O\n0.292680 0.689628 0.067196 O\n0.799404 0.820015 0.452532 O\n0.328303 0.704790 0.459066 O\n0.843913 0.803448 0.072147 O\n0.703160 0.330910 0.942120 O\n0.210233 0.186595 0.554633 O\n",
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{
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"formula_full": "Bi32 As4 Au4 Cl36",
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},
{
"id": "mp-8989",
"created_at": "2022-09-04T14:48:26.442255Z",
"structure_string": "Na4 P4 Pd2 O14\n1.0\n2.995339 7.432907 0.000000\n-2.995339 7.432907 0.000000\n0.000000 3.305745 7.348430\nNa P Pd O\n4 4 2 14\ndirect\n0.089328 0.364207 0.697303 Na\n0.635793 0.910672 0.802697 Na\n0.910672 0.635793 0.302697 Na\n0.364207 0.089328 0.197303 Na\n0.447616 0.764013 0.658522 P\n0.235987 0.552384 0.841478 P\n0.552384 0.235987 0.341478 P\n0.764013 0.447616 0.158522 P\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.887032 0.326543 0.988399 O\n0.673457 0.112968 0.511601 O\n0.112968 0.673457 0.011601 O\n0.326543 0.887032 0.488399 O\n0.064814 0.708860 0.696868 O\n0.291140 0.935186 0.803132 O\n0.935186 0.291140 0.303132 O\n0.708860 0.064814 0.196868 O\n0.467667 0.532333 0.750000 O\n0.532333 0.467667 0.250000 O\n0.299033 0.327738 0.393586 O\n0.672262 0.700967 0.106414 O\n0.700967 0.672262 0.606414 O\n0.327738 0.299033 0.893586 O\n",
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{
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"structure_string": "Ba2 Ca2 C4 O12\n1.0\n5.269013 0.000000 0.000000\n0.000000 6.706078 0.000000\n0.000000 2.566497 8.093828\nBa Ca C O\n2 2 4 12\ndirect\n0.005454 0.716237 0.636745 Ba\n0.505454 0.283763 0.363255 Ba\n0.500816 0.211667 0.884235 Ca\n0.000816 0.788333 0.115765 Ca\n0.010167 0.248842 0.117284 C\n0.489246 0.750059 0.380572 C\n0.510167 0.751158 0.882716 C\n0.989246 0.249941 0.619428 C\n0.966668 0.418086 0.154294 O\n0.765573 0.313756 0.650206 O\n0.265573 0.686244 0.349794 O\n0.687778 0.690557 0.316546 O\n0.187778 0.309443 0.683454 O\n0.322142 0.860923 0.914088 O\n0.466668 0.581914 0.845706 O\n0.739741 0.824167 0.882811 O\n0.512416 0.859583 0.481859 O\n0.822142 0.139077 0.085912 O\n0.239741 0.175833 0.117189 O\n0.012416 0.140417 0.518141 O\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.973326 0.000000 0.000000\n-1.483650 6.257289 0.000000\n-0.808641 -2.957239 11.555940\nLi Mn Co O\n7 2 3 12\ndirect\n0.996276 0.998765 0.252392 Li\n0.325141 0.657800 0.583780 Li\n0.666797 0.338822 0.416818 Li\n0.004148 0.997146 0.749436 Li\n0.672677 0.348813 0.916111 Li\n0.336893 0.660304 0.075947 Li\n0.322910 0.661505 0.838712 Li\n0.998691 0.990366 0.995650 Mn\n0.997805 0.001396 0.500421 Mn\n0.335445 0.665461 0.331718 Co\n0.666045 0.347755 0.674762 Co\n0.679043 0.335732 0.165454 Co\n0.531974 0.014669 0.112630 O\n0.809811 0.678701 0.453314 O\n0.147160 0.346626 0.286186 O\n0.485519 0.021851 0.625042 O\n0.136214 0.330709 0.781413 O\n0.839002 0.690442 0.964301 O\n0.516644 0.985845 0.374356 O\n0.822875 0.633874 0.700849 O\n0.182886 0.319729 0.545809 O\n0.479492 0.001628 0.891502 O\n0.193690 0.320616 0.048597 O\n0.852863 0.651444 0.214799 O\n",
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]
}