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{
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{
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{
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"structure_string": "La1 Y1 Zn2\n1.0\n0.000000 3.682143 3.682143\n3.682143 0.000000 3.682143\n3.682143 3.682143 0.000000\nLa Y Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
"id": "mp-1009766",
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"structure_string": "Ag1 N1\n1.0\n0.000000 2.474843 2.474843\n2.474843 0.000000 2.474843\n2.474843 2.474843 0.000000\nAg N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 N\n",
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{
"id": "mp-625850",
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"structure_string": "H28 N4 O24\n1.0\n9.774738 0.000000 0.000000\n0.000000 3.774064 0.000000\n0.000000 0.680198 14.779398\nH N O\n28 4 24\ndirect\n0.800890 0.237827 0.461931 H\n0.689187 0.704973 0.025002 H\n0.300890 0.762173 0.538069 H\n0.189187 0.295027 0.974998 H\n0.896604 0.893894 0.388942 H\n0.703874 0.933639 0.427948 H\n0.606601 0.366681 0.099408 H\n0.790823 0.400496 0.067215 H\n0.396604 0.106106 0.611058 H\n0.203874 0.066361 0.572052 H\n0.106601 0.633319 0.900592 H\n0.290823 0.599504 0.932785 H\n0.750422 0.764895 0.629227 H\n0.755797 0.255377 0.838847 H\n0.699169 0.743428 0.728878 H\n0.858690 0.318759 0.756258 H\n0.250422 0.235105 0.370773 H\n0.255797 0.744623 0.161153 H\n0.199169 0.256572 0.271122 H\n0.358690 0.681241 0.243742 H\n0.515806 0.412797 0.574602 H\n0.569633 0.095683 0.647898 H\n0.975824 0.938162 0.934281 H\n0.930023 0.656726 0.857290 H\n0.069633 0.904317 0.352102 H\n0.015806 0.587203 0.425398 H\n0.430023 0.343274 0.142710 H\n0.475824 0.061838 0.065719 H\n0.972163 0.365153 0.584218 N\n0.522143 0.877653 0.905768 N\n0.472163 0.634847 0.415782 N\n0.022143 0.122347 0.094232 N\n0.857230 0.497448 0.557698 O\n0.643455 0.971427 0.928676 O\n0.357230 0.502552 0.442302 O\n0.143455 0.028573 0.071324 O\n0.063940 0.320540 0.523116 O\n0.434846 0.816967 0.970833 O\n0.563940 0.679460 0.476884 O\n0.934846 0.183033 0.029167 O\n0.995631 0.278945 0.664899 O\n0.489291 0.844284 0.826331 O\n0.495631 0.721055 0.335101 O\n0.989291 0.155716 0.173669 O\n0.782993 0.086881 0.410406 O\n0.708183 0.547500 0.079602 O\n0.282993 0.913119 0.589594 O\n0.208183 0.452500 0.920398 O\n0.695955 0.895315 0.672962 O\n0.811868 0.436013 0.806024 O\n0.195955 0.104685 0.327038 O\n0.311868 0.563987 0.193976 O\n0.487591 0.258549 0.628003 O\n0.007330 0.805548 0.881127 O\n0.987591 0.741451 0.371997 O\n0.507330 0.194452 0.118873 O\n",
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{
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"created_at": "2022-09-04T14:48:17.611863Z",
"structure_string": "Ba4 Yb4 Co16 O28\n1.0\n6.333684 0.000000 0.000000\n0.000000 10.309713 0.000000\n0.000000 0.000000 11.124379\nBa Yb Co O\n4 4 16 28\ndirect\n0.496729 0.007240 0.172595 Ba\n0.003271 0.007240 0.672595 Ba\n0.996729 0.507240 0.327405 Ba\n0.503271 0.507240 0.827405 Ba\n0.989844 0.371799 0.670766 Yb\n0.510156 0.371799 0.170766 Yb\n0.489844 0.871799 0.829234 Yb\n0.010156 0.871799 0.329234 Yb\n0.998522 0.184668 0.171243 Co\n0.267107 0.192589 0.913888 Co\n0.996605 0.945006 0.000362 Co\n0.767107 0.692589 0.586112 Co\n0.232893 0.192589 0.413888 Co\n0.496605 0.445006 0.499638 Co\n0.503395 0.945006 0.500362 Co\n0.748228 0.180423 0.417278 Co\n0.003395 0.445006 0.999638 Co\n0.498522 0.684668 0.328757 Co\n0.251772 0.680423 0.582722 Co\n0.501478 0.184668 0.671243 Co\n0.751772 0.180423 0.917278 Co\n0.732893 0.692589 0.086112 Co\n0.248228 0.680423 0.082722 Co\n0.001478 0.684668 0.828757 Co\n0.230010 0.266571 0.264746 O\n0.232267 0.716857 0.251959 O\n0.730010 0.766571 0.235254 O\n0.245693 0.491455 0.569455 O\n0.267733 0.716857 0.751959 O\n0.732267 0.216857 0.248041 O\n0.997007 0.728742 0.490154 O\n0.502993 0.728742 0.990154 O\n0.279213 0.007448 0.399732 O\n0.269990 0.266571 0.764746 O\n0.062607 0.997682 0.154251 O\n0.437393 0.997682 0.654251 O\n0.491038 0.255119 0.500675 O\n0.008962 0.255119 0.000675 O\n0.220787 0.007448 0.899732 O\n0.769990 0.766571 0.735254 O\n0.497007 0.228742 0.009846 O\n0.779213 0.507448 0.100268 O\n0.508962 0.755119 0.499325 O\n0.767733 0.216857 0.748041 O\n0.991038 0.755119 0.999325 O\n0.002993 0.228742 0.509846 O\n0.720787 0.507448 0.600268 O\n0.937393 0.497682 0.845749 O\n0.562607 0.497682 0.345749 O\n0.745693 0.991455 0.930545 O\n0.254307 0.491455 0.069455 O\n0.754307 0.991455 0.430545 O\n",
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{
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{
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{
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{
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"structure_string": "Ta2 Mn4 N6\n1.0\n5.782730 -0.009739 0.000000\n-2.898540 5.021876 0.000000\n0.000000 0.000000 4.368693\nTa Mn N\n2 4 6\ndirect\n0.000000 0.678399 0.425544 Ta\n0.000000 0.321601 0.925544 Ta\n0.364778 0.385024 0.470924 Mn\n0.635222 0.020244 0.470924 Mn\n0.635222 0.614976 0.970924 Mn\n0.364778 0.979756 0.970924 Mn\n0.328657 0.288063 0.900944 N\n0.671343 0.959407 0.900944 N\n0.671343 0.711937 0.400944 N\n0.328657 0.040593 0.400944 N\n0.000000 0.680046 0.918721 N\n0.000000 0.319954 0.418721 N\n",
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},
{
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"created_at": "2022-09-04T14:48:17.628703Z",
"structure_string": "Cs1 Mg14 Co1\n1.0\n6.447548 0.000000 0.000000\n-3.223774 5.583740 0.000000\n0.000000 0.000000 10.736709\nCs Mg Co\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Cs\n0.151941 0.825970 0.125000 Mg\n0.173005 0.836502 0.625000 Mg\n0.674030 0.348059 0.125000 Mg\n0.663498 0.326995 0.625000 Mg\n0.674030 0.825970 0.125000 Mg\n0.663498 0.836502 0.625000 Mg\n0.329833 0.170167 0.335704 Mg\n0.329833 0.170167 0.914296 Mg\n0.329833 0.659666 0.335704 Mg\n0.329833 0.659666 0.914296 Mg\n0.840334 0.170167 0.335704 Mg\n0.840334 0.170167 0.914296 Mg\n0.833333 0.666667 0.385761 Mg\n0.833333 0.666667 0.864239 Mg\n0.166667 0.333333 0.125000 Co\n",
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"elements": [
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],
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"density": 2.285906484800819,
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"volume": 386.5368954190204,
"volume_molar": 14.548622457167125,
"formula_full": "Cs1 Mg14 Co1",
"formula_reduced": "CsMg14Co",
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"updated_at": "2021-11-28T01:38:48.285000Z",
"spacegroup": 187
},
{
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"structure_string": "Y2 U2 O8\n1.0\n-2.683775 2.683775 5.349919\n2.683775 -2.683775 5.349919\n2.683775 2.683775 -5.349919\nY U O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.612386 0.625000 0.487386 O\n0.137614 0.125000 0.512614 O\n0.612386 0.125000 0.987386 O\n0.137614 0.625000 0.012614 O\n0.375000 0.862386 0.987386 O\n0.875000 0.387614 0.012614 O\n0.375000 0.387614 0.512614 O\n0.875000 0.862386 0.487386 O\n",
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"elements": [
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],
"chemical_system": "O-U-Y",
"density": 8.423281415269852,
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"volume": 154.13433890534176,
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"formula_full": "Y2 U2 O8",
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"updated_at": "2021-11-28T01:38:57.266000Z",
"spacegroup": 141
}
]
}