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{
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{
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"structure_string": "V6 H16 N4 O16\n1.0\n9.028631 0.000000 0.000000\n0.000000 9.028631 0.000000\n0.000000 0.000000 5.692147\nV H N O\n6 16 4 16\ndirect\n0.500000 0.500000 0.003223 V\n0.000000 0.000000 0.003223 V\n0.133690 0.633690 0.004187 V\n0.633690 0.866310 0.004187 V\n0.366310 0.133690 0.004187 V\n0.866310 0.366310 0.004187 V\n0.900729 0.599271 0.451933 H\n0.757510 0.611456 0.642001 H\n0.766654 0.733346 0.419195 H\n0.888544 0.742490 0.642001 H\n0.388544 0.757510 0.642001 H\n0.266654 0.766654 0.419195 H\n0.257510 0.888544 0.642001 H\n0.400729 0.900729 0.451933 H\n0.599271 0.099271 0.451933 H\n0.742490 0.111456 0.642001 H\n0.733346 0.233346 0.419195 H\n0.611456 0.242490 0.642001 H\n0.111456 0.257510 0.642001 H\n0.233346 0.266654 0.419195 H\n0.242490 0.388544 0.642001 H\n0.099271 0.400729 0.451933 H\n0.829400 0.670600 0.536903 N\n0.329400 0.829400 0.536903 N\n0.670600 0.170600 0.536903 N\n0.170600 0.329400 0.536903 N\n0.500000 0.500000 0.291230 O\n0.000000 0.500000 0.893526 O\n0.307561 0.584275 0.895760 O\n0.131807 0.631807 0.298963 O\n0.584275 0.692439 0.895760 O\n0.084275 0.807561 0.895760 O\n0.631807 0.868193 0.298963 O\n0.807561 0.915725 0.895760 O\n0.500000 0.000000 0.893526 O\n0.000000 0.000000 0.291230 O\n0.192439 0.084275 0.895760 O\n0.368193 0.131807 0.298963 O\n0.915725 0.192439 0.895760 O\n0.415725 0.307561 0.895760 O\n0.868193 0.368193 0.298963 O\n0.692439 0.415725 0.895760 O\n",
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{
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{
"id": "mp-1219936",
"created_at": "2022-09-04T14:46:51.984605Z",
"structure_string": "Pd7 O8\n1.0\n5.756102 0.000000 0.000000\n0.000000 5.756102 0.000000\n0.000000 0.000000 5.756102\nPd O\n7 8\ndirect\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.755818 Pd\n0.500000 0.244182 0.000000 Pd\n0.755818 0.000000 0.500000 Pd\n0.000000 0.500000 0.244182 Pd\n0.500000 0.755818 0.000000 Pd\n0.244182 0.000000 0.500000 Pd\n0.735337 0.264663 0.735337 O\n0.264663 0.735337 0.264663 O\n0.735337 0.735337 0.264663 O\n0.264663 0.264663 0.735337 O\n0.264663 0.735337 0.735337 O\n0.735337 0.264663 0.264663 O\n0.264663 0.264663 0.264663 O\n0.735337 0.735337 0.735337 O\n",
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{
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"structure_string": "Sr4 Pr4 Eu4 Nb4 O24\n1.0\n8.543427 0.000000 0.000000\n0.000000 8.553094 0.000000\n0.000000 0.000000 8.555928\nSr Pr Eu Nb O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.250000 0.750000 Pr\n0.250000 0.750000 0.750000 Pr\n0.500000 -0.000000 0.500000 Eu\n-0.000000 0.500000 -0.000000 Eu\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.750000 Nb\n0.250000 0.750000 0.250000 Nb\n0.750000 0.250000 0.250000 Nb\n0.978674 0.200756 0.288738 O\n0.021326 0.799244 0.288738 O\n0.021326 0.200756 0.711262 O\n0.978674 0.799244 0.711262 O\n0.288421 0.978906 0.200776 O\n0.288421 0.021094 0.799224 O\n0.711579 0.021094 0.200776 O\n0.711579 0.978906 0.799224 O\n0.198925 0.290232 0.978774 O\n0.801075 0.290232 0.021226 O\n0.198925 0.709768 0.021226 O\n0.801075 0.709768 0.978774 O\n0.521326 0.299244 0.211262 O\n0.478674 0.700756 0.211262 O\n0.478674 0.299244 0.788738 O\n0.521326 0.700756 0.788738 O\n0.211579 0.521094 0.299224 O\n0.211579 0.478906 0.700776 O\n0.788421 0.478906 0.299224 O\n0.788421 0.521094 0.700776 O\n0.301075 0.209768 0.521226 O\n0.698925 0.209768 0.478774 O\n0.301075 0.790232 0.478774 O\n0.698925 0.790232 0.521226 O\n",
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{
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"structure_string": "Li4 Fe6 Te2 O16\n1.0\n-0.000811 -3.508389 4.967905\n6.134479 0.080918 0.056100\n0.137791 7.094998 5.023876\nLi Fe Te O\n4 6 2 16\ndirect\n0.999550 0.276751 0.141813 Li\n0.499875 0.776151 0.641673 Li\n0.000108 0.723827 0.858384 Li\n0.500403 0.223230 0.358216 Li\n0.750002 0.250006 0.750004 Fe\n0.750103 0.750060 0.249926 Fe\n0.250026 0.249983 0.749929 Fe\n0.002778 0.501048 0.500388 Fe\n0.497150 0.999141 0.999544 Fe\n0.249940 0.750013 0.250012 Fe\n0.994527 0.000775 0.499665 Te\n0.505463 0.499153 0.000287 Te\n0.990230 0.537271 0.273634 O\n0.508571 0.035693 0.774211 O\n0.991555 0.464293 0.725812 O\n0.509807 0.962760 0.226381 O\n0.215486 0.767257 0.502814 O\n0.729796 0.264243 0.993027 O\n0.770371 0.765185 0.493627 O\n0.284280 0.266418 0.003615 O\n0.987873 0.995031 0.274630 O\n0.512334 0.493612 0.774709 O\n0.987687 0.006380 0.725322 O\n0.512137 0.504966 0.225391 O\n0.215667 0.233525 0.496388 O\n0.729590 0.734778 0.006378 O\n0.770199 0.235749 0.507005 O\n0.284494 0.732703 0.997214 O\n",
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{
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"structure_string": "Mn2 N1\n1.0\n1.412136 -2.445891 0.000000\n1.412136 2.445891 0.000000\n0.000000 0.000000 4.401665\nMn N\n2 1\ndirect\n0.333333 0.666667 0.245161 Mn\n0.666667 0.333333 0.754839 Mn\n0.000000 0.000000 0.500000 N\n",
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{
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"structure_string": "Fe3 Cu1 Sn2 S8\n1.0\n-3.525638 3.596691 5.020856\n3.525638 -3.596691 5.020856\n3.525638 3.596691 -5.020856\nFe Cu Sn S\n3 1 2 8\ndirect\n0.994105 0.994105 0.000000 Fe\n0.375824 0.621969 0.246146 Fe\n0.375824 0.129678 0.753854 Fe\n0.757754 0.257754 0.500000 Cu\n0.871076 0.624192 0.246884 Sn\n0.377308 0.624192 0.753116 Sn\n0.146270 0.907765 0.761494 S\n0.146270 0.384776 0.238506 S\n0.595251 0.878515 0.716735 S\n0.161780 0.878515 0.283265 S\n0.602317 0.344552 0.742235 S\n0.602317 0.860082 0.257765 S\n0.156923 0.371952 0.784971 S\n0.586980 0.371952 0.215029 S\n",
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"structure_string": "Li12 Cr8 P12 O48\n1.0\n6.627980 7.135092 0.000000\n-6.627980 7.135092 0.000000\n0.000000 0.931130 9.633336\nLi Cr P O\n12 8 12 48\ndirect\n0.238666 0.033104 0.395410 Li\n0.966896 0.761334 0.604590 Li\n0.731813 0.780783 0.175307 Li\n0.502404 0.977331 0.267688 Li\n0.752794 0.622080 0.828325 Li\n0.567685 0.768248 0.473709 Li\n0.911776 0.326141 0.977611 Li\n0.673859 0.088224 0.022389 Li\n0.231752 0.432315 0.526291 Li\n0.219217 0.268187 0.824693 Li\n0.022669 0.497596 0.732312 Li\n0.377920 0.247206 0.171675 Li\n0.252916 0.968411 0.782856 Cr\n0.963952 0.247928 0.279791 Cr\n0.466713 0.533287 0.000000 Cr\n0.249962 0.750038 0.000000 Cr\n0.749435 0.250565 0.500000 Cr\n0.531471 0.468529 0.500000 Cr\n0.752072 0.036048 0.720209 Cr\n0.031589 0.747084 0.217144 Cr\n0.448607 0.156305 0.574412 P\n0.650217 0.325081 0.199591 P\n0.342688 0.675337 0.302324 P\n0.324663 0.657312 0.697676 P\n0.674919 0.349783 0.800409 P\n0.843695 0.551393 0.425588 P\n0.551043 0.847117 0.930070 P\n0.822834 0.948510 0.405615 P\n0.169678 0.049685 0.099125 P\n0.051490 0.177166 0.594385 P\n0.152883 0.448957 0.069930 P\n0.950315 0.830322 0.900875 P\n0.091497 0.402644 0.940378 O\n0.617896 0.908383 0.793084 O\n0.696880 0.897449 0.343540 O\n0.909308 0.802035 0.058088 O\n0.914488 0.717083 0.810428 O\n0.819112 0.915244 0.566356 O\n0.962057 0.882394 0.348490 O\n0.881753 0.973583 0.857273 O\n0.026417 0.118247 0.142727 O\n0.117606 0.037943 0.651510 O\n0.084756 0.180888 0.433644 O\n0.282917 0.085512 0.189572 O\n0.197965 0.090692 0.941912 O\n0.102551 0.303120 0.656460 O\n0.091617 0.382104 0.206916 O\n0.410521 0.083620 0.450610 O\n0.377024 0.108889 0.716191 O\n0.916380 0.589479 0.549390 O\n0.312221 0.411181 0.064339 O\n0.122048 0.611386 0.076853 O\n0.575944 0.202161 0.158258 O\n0.411579 0.315912 0.561057 O\n0.612196 0.125870 0.585935 O\n0.205321 0.580870 0.654726 O\n0.184555 0.690196 0.334151 O\n0.390274 0.532639 0.372841 O\n0.826260 0.111348 0.371517 O\n0.622335 0.331659 0.363584 O\n0.693133 0.191932 0.841770 O\n0.376070 0.666796 0.137224 O\n0.161854 0.886553 0.125085 O\n0.594384 0.464680 0.135906 O\n0.535320 0.405616 0.864094 O\n0.113447 0.838146 0.874915 O\n0.333204 0.623930 0.862776 O\n0.808068 0.306867 0.158230 O\n0.668341 0.377665 0.636416 O\n0.888652 0.173740 0.628483 O\n0.467361 0.609726 0.627159 O\n0.309804 0.815445 0.665849 O\n0.891111 0.622976 0.283809 O\n0.874130 0.387804 0.414065 O\n0.684088 0.588421 0.438943 O\n0.797839 0.424056 0.841742 O\n0.388614 0.877952 0.923147 O\n0.588819 0.687779 0.935661 O\n0.597356 0.908503 0.059622 O\n0.419130 0.794679 0.345274 O\n",
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],
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"density_atomic": 0.08780161747533367,
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"formula_full": "Li12 Cr8 P12 O48",
"formula_reduced": "Li3Cr2(PO4)3",
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"updated_at": "2021-11-28T01:37:43.868000Z",
"spacegroup": 5
},
{
"id": "mp-1174804",
"created_at": "2022-09-04T14:46:52.019143Z",
"structure_string": "Li7 Co5 O12\n1.0\n5.022148 0.000000 0.000000\n-1.653419 4.794896 0.000000\n-0.107171 -0.093798 8.681802\nLi Co O\n7 5 12\ndirect\n0.000000 0.500000 0.000000 Li\n0.498868 0.498821 0.163574 Li\n0.000961 0.501323 0.331977 Li\n0.500000 0.500000 0.500000 Li\n0.999039 0.498677 0.668023 Li\n0.501132 0.501179 0.836426 Li\n0.500000 0.000000 0.000000 Li\n0.005977 0.000604 0.838245 Co\n0.994023 0.999396 0.161755 Co\n0.498202 0.997476 0.324952 Co\n0.000000 0.000000 0.500000 Co\n0.501798 0.002524 0.675048 Co\n0.233877 0.776527 0.827714 O\n0.786493 0.780075 0.001958 O\n0.240644 0.777393 0.173784 O\n0.763165 0.769803 0.321919 O\n0.253283 0.768880 0.503035 O\n0.768667 0.772959 0.677589 O\n0.766123 0.223473 0.172286 O\n0.231333 0.227041 0.322411 O\n0.746717 0.231120 0.496965 O\n0.236835 0.230197 0.678081 O\n0.759356 0.222607 0.826216 O\n0.213507 0.219925 0.998042 O\n",
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"elements": [
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"formula_full": "Li7 Co5 O12",
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{
"id": "mp-1176357",
"created_at": "2022-09-04T14:46:52.022993Z",
"structure_string": "Na15 Mn6 P6 C6 O42\n1.0\n6.721199 0.000000 0.000000\n0.000000 9.050782 0.000000\n0.000000 0.197026 15.777287\nNa Mn P C O\n15 6 6 6 42\ndirect\n0.500000 0.081972 0.590118 Na\n0.259290 0.257345 0.753492 Na\n0.740710 0.257345 0.753492 Na\n0.260467 0.256709 0.410374 Na\n0.739533 0.256709 0.410374 Na\n0.253746 0.230893 0.080356 Na\n0.746254 0.230893 0.080356 Na\n0.751439 0.761693 0.922163 Na\n0.248561 0.761693 0.922163 Na\n0.752236 0.738341 0.585412 Na\n0.247764 0.738341 0.585412 Na\n0.754596 0.757406 0.246801 Na\n0.245404 0.757406 0.246801 Na\n0.000000 0.917097 0.746727 Na\n0.000000 0.921701 0.410881 Na\n0.000000 0.358425 0.928887 Mn\n0.000000 0.356249 0.592114 Mn\n0.000000 0.362389 0.257671 Mn\n0.500000 0.641125 0.743007 Mn\n0.500000 0.645501 0.405306 Mn\n0.500000 0.639275 0.072239 Mn\n0.500000 0.418504 0.905085 P\n0.500000 0.414932 0.566665 P\n0.500000 0.426816 0.232559 P\n0.000000 0.580743 0.768425 P\n0.000000 0.586486 0.430624 P\n0.000000 0.575013 0.098388 P\n0.000000 0.074452 0.905008 C\n0.000000 0.057245 0.575551 C\n0.000000 0.075251 0.246754 C\n0.500000 0.935411 0.752136 C\n0.500000 0.933737 0.427872 C\n0.500000 0.917489 0.090371 C\n0.500000 0.077465 0.750952 O\n0.500000 0.075087 0.434309 O\n0.500000 0.055570 0.089480 O\n0.000000 0.145226 0.977101 O\n0.000000 0.119053 0.649742 O\n0.000000 0.157045 0.316543 O\n0.000000 0.157039 0.836813 O\n0.000000 0.140700 0.507508 O\n0.000000 0.147563 0.176279 O\n0.310994 0.331736 0.933150 O\n0.689006 0.331736 0.933150 O\n0.315523 0.320115 0.590687 O\n0.684477 0.320115 0.590687 O\n0.312224 0.336832 0.257649 O\n0.687776 0.336832 0.257649 O\n0.500000 0.434672 0.806378 O\n0.000000 0.429611 0.723988 O\n0.500000 0.442859 0.467713 O\n0.000000 0.432659 0.388549 O\n0.500000 0.448413 0.132603 O\n0.000000 0.418135 0.060418 O\n0.500000 0.575759 0.944387 O\n0.000000 0.553457 0.867903 O\n0.500000 0.565778 0.611518 O\n0.000000 0.566062 0.528975 O\n0.500000 0.580501 0.274087 O\n0.000000 0.557692 0.198723 O\n0.816405 0.676497 0.745005 O\n0.183595 0.676497 0.745005 O\n0.815409 0.680105 0.403507 O\n0.184591 0.680105 0.403507 O\n0.812692 0.663788 0.072398 O\n0.187308 0.663788 0.072398 O\n0.500000 0.855724 0.820964 O\n0.500000 0.849041 0.495667 O\n0.500000 0.832899 0.157600 O\n0.500000 0.865319 0.679179 O\n0.500000 0.867954 0.354761 O\n0.500000 0.840250 0.018995 O\n0.000000 0.933815 0.901498 O\n0.000000 0.914508 0.569402 O\n0.000000 0.934984 0.255779 O\n",
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"formula_full": "Na15 Mn6 P6 C6 O42",
"formula_reduced": "Na5Mn2P2(CO7)2",
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}
]
}