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{
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{
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"structure_string": "C24 I12 N16\n1.0\n11.173228 0.000000 0.000000\n0.000000 9.389869 0.000000\n0.000000 0.695571 10.870697\nC I N\n24 12 16\ndirect\n0.354478 0.616104 0.910911 C\n0.854478 0.383896 0.589089 C\n0.645522 0.383896 0.089089 C\n0.145522 0.616104 0.410911 C\n0.418155 0.843610 0.901935 C\n0.918155 0.156390 0.598065 C\n0.581845 0.156390 0.098065 C\n0.081845 0.843610 0.401935 C\n0.352312 0.869035 0.111415 C\n0.852312 0.130965 0.388585 C\n0.647688 0.130965 0.888585 C\n0.147688 0.869035 0.611415 C\n0.214573 0.794651 0.963346 C\n0.714573 0.205349 0.536654 C\n0.785427 0.205349 0.036654 C\n0.285427 0.794651 0.463346 C\n0.287337 0.630391 0.116475 C\n0.787337 0.369609 0.383525 C\n0.712663 0.369609 0.883525 C\n0.212663 0.630391 0.616475 C\n0.482908 0.691295 0.064103 C\n0.982908 0.308705 0.435897 C\n0.517092 0.308705 0.935897 C\n0.017092 0.691295 0.564103 C\n0.066289 0.105763 0.136200 I\n0.566289 0.894237 0.363800 I\n0.933711 0.894237 0.863800 I\n0.433711 0.105763 0.636200 I\n0.261431 0.242985 0.253104 I\n0.761431 0.757015 0.246896 I\n0.738569 0.757015 0.746896 I\n0.238569 0.242985 0.753104 I\n0.446096 0.406672 0.366270 I\n0.946096 0.593328 0.133730 I\n0.553904 0.593328 0.633730 I\n0.053904 0.406672 0.866270 I\n0.385030 0.598711 0.039057 N\n0.885030 0.401289 0.460943 N\n0.614970 0.401289 0.960943 N\n0.114970 0.598711 0.539057 N\n0.315515 0.758766 0.889180 N\n0.815515 0.241234 0.610820 N\n0.684485 0.241234 0.110820 N\n0.184485 0.758766 0.389180 N\n0.447023 0.833743 0.030555 N\n0.947023 0.166257 0.469445 N\n0.552977 0.166257 0.969445 N\n0.052977 0.833743 0.530555 N\n0.257256 0.775777 0.084375 N\n0.757256 0.224223 0.415625 N\n0.742744 0.224223 0.915625 N\n0.242744 0.775777 0.584375 N\n",
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},
{
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"created_at": "2022-09-04T14:48:20.931481Z",
"structure_string": "Gd1 Er1 Rh2\n1.0\n0.000000 3.438628 3.438628\n3.438628 0.000000 3.438628\n3.438628 3.438628 0.000000\nGd Er Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Er\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
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{
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"structure_string": "Li8 Fe4 P4 C4 O28\n1.0\n5.059653 0.000000 0.000000\n1.227844 10.083156 0.000000\n0.379328 2.960150 10.604145\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.263161 0.911665 0.844176 Li\n0.223124 0.552348 0.866650 Li\n0.286112 0.399335 0.349808 Li\n0.369403 0.118674 0.601844 Li\n0.630597 0.881326 0.398156 Li\n0.736839 0.088335 0.155824 Li\n0.776876 0.447652 0.133350 Li\n0.713888 0.600665 0.650192 Li\n0.188304 0.207439 0.954218 Fe\n0.186647 0.704883 0.449525 Fe\n0.811696 0.792561 0.045782 Fe\n0.813353 0.295117 0.550475 Fe\n0.274164 0.910534 0.166746 P\n0.273197 0.411771 0.668984 P\n0.725836 0.089466 0.833254 P\n0.726803 0.588229 0.331016 P\n0.253966 0.849139 0.595583 C\n0.328172 0.330974 0.109362 C\n0.746034 0.150861 0.404417 C\n0.671828 0.669026 0.890638 C\n0.021769 0.836024 0.557032 O\n0.150324 0.803182 0.118188 O\n0.115956 0.054605 0.112870 O\n0.079818 0.346533 0.071175 O\n0.272830 0.871183 0.312917 O\n0.169592 0.296218 0.621696 O\n0.244220 0.382297 0.813930 O\n0.105951 0.552371 0.609734 O\n0.426559 0.082810 0.874269 O\n0.298333 0.926916 0.663032 O\n0.410587 0.397651 0.179936 O\n0.573441 0.917190 0.125731 O\n0.488210 0.245874 0.063031 O\n0.545707 0.228617 0.445031 O\n0.431274 0.576760 0.372423 O\n0.701667 0.073084 0.336968 O\n0.511790 0.754126 0.936969 O\n0.589413 0.602349 0.820064 O\n0.568726 0.423240 0.627577 O\n0.454293 0.771383 0.554969 O\n0.884044 0.945395 0.887130 O\n0.727170 0.128817 0.687083 O\n0.849676 0.196818 0.881812 O\n0.755780 0.617703 0.186070 O\n0.978231 0.163976 0.442968 O\n0.894049 0.447629 0.390266 O\n0.830408 0.703782 0.378304 O\n0.920182 0.653467 0.928825 O\n",
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{
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{
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{
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{
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{
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{
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"formula_full": "Cu18 S11",
"formula_reduced": "Cu18S11",
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"spacegroup": 1
},
{
"id": "mp-755824",
"created_at": "2022-09-04T14:48:16.589091Z",
"structure_string": "Li5 Fe2 Ni3 O10\n1.0\n5.083201 0.000000 0.000000\n0.774720 5.040625 0.000000\n2.448968 2.168576 6.987309\nLi Fe Ni O\n5 2 3 10\ndirect\n0.503444 0.787311 0.408485 Li\n0.500977 0.600433 0.791190 Li\n0.000000 0.500000 0.500000 Li\n0.499023 0.399567 0.208810 Li\n0.496556 0.212689 0.591515 Li\n0.006026 0.898995 0.692464 Fe\n0.993974 0.101005 0.307536 Fe\n0.500000 0.000000 0.000000 Ni\n0.998976 0.302061 0.898844 Ni\n0.001024 0.697939 0.101156 Ni\n0.233172 0.939023 0.864920 O\n0.766387 0.660862 0.955507 O\n0.757631 0.867469 0.551014 O\n0.228672 0.764652 0.237165 O\n0.224564 0.544501 0.669600 O\n0.775436 0.455499 0.330400 O\n0.771328 0.235348 0.762835 O\n0.242369 0.132531 0.448986 O\n0.233613 0.339138 0.044493 O\n0.766828 0.060977 0.135080 O\n",
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"density_atomic": 0.11171162626151758,
"volume": 179.03239500944943,
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"formula_full": "Li5 Fe2 Ni3 O10",
"formula_reduced": "Li5Fe2Ni3O10",
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"spacegroup": 2
},
{
"id": "mp-532403",
"created_at": "2022-09-04T14:48:16.406918Z",
"structure_string": "Zn10 Fe20 O40\n1.0\n5.215530 -0.027002 2.981470\n1.712542 4.863549 2.982495\n-0.009449 0.000947 29.828886\nZn Fe O\n10 20 40\ndirect\n0.001300 0.994012 0.002214 Zn\n0.123738 0.624155 0.125591 Zn\n0.991619 0.000135 0.201646 Zn\n0.122745 0.626305 0.324957 Zn\n0.994803 0.007992 0.397919 Zn\n0.126413 0.624298 0.524674 Zn\n0.997667 0.996343 0.601174 Zn\n0.122325 0.624220 0.725368 Zn\n0.250444 0.256446 0.848510 Zn\n0.990942 0.003847 0.799937 Zn\n0.255802 0.248103 0.049557 Fe\n0.623453 0.121527 0.126010 Fe\n0.627118 0.620615 0.026271 Fe\n0.259193 0.240680 0.251906 Fe\n0.623293 0.624868 0.126023 Fe\n0.625554 0.125765 0.324881 Fe\n0.633533 0.621399 0.224706 Fe\n0.263270 0.248064 0.448065 Fe\n0.625493 0.624425 0.324877 Fe\n0.634075 0.117375 0.524587 Fe\n0.624703 0.630417 0.422912 Fe\n0.266508 0.249989 0.646978 Fe\n0.633114 0.625916 0.524681 Fe\n0.627059 0.125012 0.724368 Fe\n0.630376 0.621515 0.625249 Fe\n0.627830 0.625169 0.723401 Fe\n0.121182 0.626044 0.925715 Fe\n0.626755 0.122052 0.925313 Fe\n0.615137 0.633440 0.824192 Fe\n0.626854 0.625335 0.925198 Fe\n0.397538 0.389604 0.072593 O\n0.388188 0.375653 0.172110 O\n0.398306 0.849593 0.072444 O\n0.855459 0.389222 0.073276 O\n0.397362 0.363166 0.279002 O\n0.392050 0.865235 0.175379 O\n0.854755 0.400887 0.174955 O\n0.409300 0.374161 0.368317 O\n0.397953 0.844423 0.278873 O\n0.846669 0.870358 0.082473 O\n0.855541 0.869579 0.174830 O\n0.852101 0.370175 0.281686 O\n0.389115 0.378029 0.475294 O\n0.409480 0.875469 0.367771 O\n0.845431 0.413430 0.371494 O\n0.389525 0.856099 0.475193 O\n0.397811 0.376164 0.569038 O\n0.829380 0.875110 0.284272 O\n0.846036 0.884007 0.371380 O\n0.867472 0.381089 0.474467 O\n0.396741 0.394915 0.671556 O\n0.406136 0.855157 0.576948 O\n0.407634 0.396311 0.765820 O\n0.408609 0.847951 0.672676 O\n0.857749 0.874681 0.479110 O\n0.845883 0.407638 0.577067 O\n0.849091 0.858343 0.576606 O\n0.868631 0.383109 0.669449 O\n0.378271 0.381774 0.878973 O\n0.389500 0.880949 0.773220 O\n0.841836 0.857682 0.681990 O\n0.383044 0.380079 0.971365 O\n0.378986 0.849553 0.878512 O\n0.841513 0.411543 0.771906 O\n0.855599 0.872074 0.772931 O\n0.846918 0.384519 0.876850 O\n0.409906 0.850913 0.977528 O\n0.853714 0.406901 0.977286 O\n0.863920 0.865879 0.881323 O\n0.854556 0.853115 0.977153 O\n",
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"volume": 758.1463261510347,
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"formula_full": "Zn10 Fe20 O40",
"formula_reduced": "Zn(FeO2)2",
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"updated_at": "2021-11-28T01:40:01.501000Z",
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}
]
}