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{
"id": "mp-684828",
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"structure_string": "Na3 Ce3 H6 S6 O27\n1.0\n3.582783 -6.205562 0.000000\n3.582783 6.205562 0.000000\n0.000000 0.000000 12.776655\nNa Ce H S O\n3 3 6 6 27\ndirect\n0.000709 0.475013 0.834036 Na\n0.524987 0.525696 0.500702 Na\n0.474304 0.999291 0.167369 Na\n0.998667 0.440237 0.333944 Ce\n0.559763 0.558430 0.000611 Ce\n0.441570 0.001333 0.667278 Ce\n0.034708 0.923212 0.963706 H\n0.076788 0.111496 0.630372 H\n0.094680 0.059645 0.369944 H\n0.888504 0.965292 0.297039 H\n0.964965 0.905320 0.703278 H\n0.940355 0.035035 0.036611 H\n0.002701 0.439980 0.081970 S\n0.437279 0.997299 0.415303 S\n0.560020 0.562721 0.748636 S\n0.558918 0.557805 0.253971 S\n0.442195 0.001113 0.920638 S\n0.998887 0.441082 0.587304 S\n0.134104 0.626925 0.657270 O\n0.122603 0.621799 0.157125 O\n0.243087 0.866335 0.858466 O\n0.251617 0.847507 0.348647 O\n0.133665 0.376752 0.525133 O\n0.152493 0.404110 0.015314 O\n0.492821 0.865896 0.990603 O\n0.499196 0.877397 0.490459 O\n0.102172 0.012524 0.672636 O\n0.378201 0.500804 0.823792 O\n0.373075 0.507179 0.323937 O\n0.595890 0.748383 0.681980 O\n0.623248 0.756913 0.191800 O\n0.515526 0.381122 0.677370 O\n0.499208 0.380153 0.176444 O\n0.376053 0.130698 0.481190 O\n0.412034 0.152938 0.988278 O\n0.754645 0.623947 0.814523 O\n0.740904 0.587966 0.321612 O\n0.910352 0.897828 0.005969 O\n0.618878 0.134404 0.344037 O\n0.619847 0.119055 0.843111 O\n0.880945 0.500792 0.509777 O\n0.865596 0.484474 0.010704 O\n0.847062 0.259096 0.654945 O\n0.869302 0.245355 0.147856 O\n0.987476 0.089648 0.339302 O\n",
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{
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"formula_full": "Li4 Cr3 Co3 Sn2 O16",
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{
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"structure_string": "Nd2 Sn2 Au2\n1.0\n2.395642 -4.149374 0.000000\n2.395642 4.149374 0.000000\n0.000000 0.000000 7.686213\nNd Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.244139 Nd\n0.000000 0.000000 0.744139 Nd\n0.666667 0.333333 0.968887 Sn\n0.333333 0.666667 0.468887 Sn\n0.333333 0.666667 0.060974 Au\n0.666667 0.333333 0.560974 Au\n",
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{
"id": "mp-1031367",
"created_at": "2022-09-04T14:39:34.851218Z",
"structure_string": "K1 Li1 Mg6 O7\n1.0\n4.156657 0.000000 0.000000\n0.000000 4.156657 0.000000\n0.000000 0.000000 11.043279\nK Li Mg O\n1 1 6 7\ndirect\n0.000000 0.000000 0.960289 K\n0.000000 0.000000 0.470629 Li\n0.500000 0.500000 0.085269 Mg\n0.500000 0.500000 0.495148 Mg\n0.000000 0.500000 0.283749 Mg\n0.000000 0.500000 0.669932 Mg\n0.500000 0.000000 0.283749 Mg\n0.500000 0.000000 0.669932 Mg\n0.000000 0.000000 0.294908 O\n0.000000 0.000000 0.704824 O\n0.500000 0.500000 0.679134 O\n0.000000 0.500000 0.100977 O\n0.000000 0.500000 0.475240 O\n0.500000 0.000000 0.100977 O\n0.500000 0.000000 0.475240 O\n",
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{
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"structure_string": "Ba2 Pr2 Ta2 Co2 O12\n1.0\n5.828780 0.000000 0.000000\n0.000000 5.753987 0.000000\n0.000000 5.729417 8.074158\nBa Pr Ta Co O\n2 2 2 2 12\ndirect\n0.761095 0.749069 0.749735 Ba\n0.238905 0.749069 0.249735 Ba\n0.700562 0.269577 0.247257 Pr\n0.299438 0.269577 0.747257 Pr\n0.758057 0.999056 0.000232 Ta\n0.241943 0.999056 0.500232 Ta\n0.753626 0.502138 0.498146 Co\n0.246374 0.502138 0.998146 Co\n0.047074 0.675047 0.546166 O\n0.952926 0.675047 0.046166 O\n0.485062 0.276467 0.471727 O\n0.514938 0.276467 0.971727 O\n0.497776 0.729386 0.534250 O\n0.502224 0.729386 0.034250 O\n0.968242 0.242485 0.453510 O\n0.031758 0.242485 0.953510 O\n0.241107 0.857087 0.741771 O\n0.758893 0.857087 0.241771 O\n0.277923 0.199688 0.257207 O\n0.722077 0.199688 0.757207 O\n",
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{
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"structure_string": "Zn6 Ru2\n1.0\n-1.897034 1.897034 7.796809\n1.897034 -1.897034 7.796809\n1.897034 1.897034 -7.796809\nZn Ru\n6 2\ndirect\n0.628974 0.628974 0.000000 Zn\n0.371026 0.371026 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.882941 0.882941 0.000000 Ru\n0.117059 0.117059 0.000000 Ru\n",
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{
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"structure_string": "V4 O8 F4\n1.0\n3.611871 0.000000 0.000000\n0.000000 4.873432 0.000000\n0.000000 0.000000 13.627771\nV O F\n4 8 4\ndirect\n0.250000 0.074904 0.089086 V\n0.750000 0.574904 0.410914 V\n0.250000 0.425096 0.589086 V\n0.750000 0.925096 0.910914 V\n0.750000 0.977150 0.057600 O\n0.250000 0.401118 0.104121 O\n0.750000 0.901118 0.395879 O\n0.250000 0.477150 0.442400 O\n0.750000 0.522850 0.557600 O\n0.250000 0.098882 0.604121 O\n0.750000 0.598882 0.895879 O\n0.250000 0.022850 0.942400 O\n0.250000 0.927859 0.207542 F\n0.750000 0.427859 0.292458 F\n0.250000 0.572141 0.707542 F\n0.750000 0.072141 0.792458 F\n",
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{
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"structure_string": "Ba2 Mg1 Mo4 Se4 O22\n1.0\n7.970514 -0.235431 0.116908\n-0.262396 7.481462 -3.715060\n0.131198 -0.173428 9.041436\nBa Mg Mo Se O\n2 1 4 4 22\ndirect\n0.693118 0.171423 0.000000 Ba\n0.144625 0.793961 0.000000 Ba\n0.393222 0.445612 1.000000 Mg\n0.651074 0.849321 0.216504 Mo\n0.166230 0.152029 0.783625 Mo\n0.651074 0.632818 0.783496 Mo\n0.166230 0.368404 0.216375 Mo\n0.816879 0.310765 0.430129 Se\n0.312382 0.138271 0.413905 Se\n0.816879 0.880634 0.569871 Se\n0.312382 0.724365 0.586095 Se\n0.171935 0.550187 0.161244 O\n0.600227 0.845610 1.000000 O\n0.387342 0.936622 0.269808 O\n0.681003 0.851434 0.709482 O\n0.387342 0.666814 0.730192 O\n0.868311 0.823449 0.184226 O\n0.382917 0.313554 0.162073 O\n0.901703 0.379384 0.287387 O\n0.192735 0.054336 0.532040 O\n0.901703 0.091997 0.712613 O\n0.559237 0.462804 0.836107 O\n0.670200 0.474821 0.526928 O\n0.681003 0.141952 0.290518 O\n0.559237 0.626696 0.163893 O\n0.382917 0.151481 0.837927 O\n0.069923 0.175104 1.000000 O\n0.151560 0.148206 0.292993 O\n0.151560 0.855213 0.707007 O\n0.670200 0.947892 0.473072 O\n0.868311 0.639224 0.815774 O\n0.192735 0.522295 0.467960 O\n0.171935 0.388944 0.838756 O\n",
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{
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"structure_string": "V4 Cr4 O12\n1.0\n5.097243 0.000000 0.000000\n-2.547957 -4.873778 0.000000\n0.009004 2.681351 -8.446245\nV Cr O\n4 4 12\ndirect\n0.722512 0.301754 0.572987 V\n0.524749 0.703250 0.173321 V\n0.025721 0.699430 0.677141 V\n0.276660 0.700091 0.426157 V\n0.226914 0.299692 0.076104 Cr\n0.975224 0.304132 0.323384 Cr\n0.476401 0.297894 0.827102 Cr\n0.773147 0.698004 0.924170 Cr\n0.775920 0.801541 0.724447 O\n0.276110 0.803003 0.223330 O\n0.821030 0.499988 0.374079 O\n0.677680 0.499793 0.124164 O\n0.223175 0.801434 0.973602 O\n0.723903 0.809614 0.471793 O\n0.275600 0.195115 0.525177 O\n0.778997 0.200537 0.025518 O\n0.325056 0.496707 0.877689 O\n0.178992 0.497258 0.627539 O\n0.721327 0.196148 0.775744 O\n0.220882 0.194614 0.276550 O\n",
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{
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{
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}