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{
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{
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"structure_string": "Tb10 Ge20 Rh8\n1.0\n13.098329 0.000000 0.000000\n0.000000 13.098329 0.000000\n0.000000 0.000000 4.325365\nTb Ge Rh\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.675772 0.175772 0.500000 Tb\n0.324228 0.824228 0.500000 Tb\n0.175772 0.324228 0.500000 Tb\n0.824228 0.675772 0.500000 Tb\n0.886489 0.386489 0.500000 Tb\n0.113511 0.613511 0.500000 Tb\n0.386489 0.113511 0.500000 Tb\n0.613511 0.886489 0.500000 Tb\n0.566314 0.066314 0.000000 Ge\n0.433686 0.933686 0.000000 Ge\n0.066314 0.433686 0.000000 Ge\n0.933686 0.566314 0.000000 Ge\n0.660940 0.700120 0.000000 Ge\n0.339060 0.299880 0.000000 Ge\n0.160940 0.799880 0.000000 Ge\n0.839060 0.200120 0.000000 Ge\n0.299880 0.660940 0.000000 Ge\n0.700120 0.339060 0.000000 Ge\n0.200120 0.160940 0.000000 Ge\n0.799880 0.839060 0.000000 Ge\n0.659804 0.502892 0.500000 Ge\n0.340196 0.497108 0.500000 Ge\n0.159804 0.997108 0.500000 Ge\n0.840196 0.002892 0.500000 Ge\n0.497108 0.659804 0.500000 Ge\n0.502892 0.340196 0.500000 Ge\n0.002892 0.159804 0.500000 Ge\n0.997108 0.840196 0.500000 Ge\n0.745668 0.522051 0.000000 Rh\n0.254332 0.477949 0.000000 Rh\n0.245668 0.977949 0.000000 Rh\n0.754332 0.022051 0.000000 Rh\n0.477949 0.745668 0.000000 Rh\n0.522051 0.254332 0.000000 Rh\n0.022051 0.245668 0.000000 Rh\n0.977949 0.754332 0.000000 Rh\n",
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{
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"structure_string": "Ag7 N1 O11\n1.0\n0.000000 5.083116 5.122527\n4.894537 0.000000 5.122527\n4.894537 5.083116 0.000000\nAg N O\n7 1 11\ndirect\n0.502104 0.996938 0.497896 Ag\n0.489396 0.998292 0.001708 Ag\n0.998292 0.489396 0.510604 Ag\n0.996938 0.502104 0.003062 Ag\n0.998044 0.998044 0.501956 Ag\n0.497817 0.497817 0.502183 Ag\n0.498044 0.498044 0.001956 Ag\n0.010244 0.010244 0.989756 N\n0.841390 0.058060 0.941940 O\n0.914997 0.356062 0.361460 O\n0.632520 0.638540 0.643938 O\n0.638540 0.632520 0.085003 O\n0.640772 0.080827 0.633622 O\n0.356062 0.914997 0.367480 O\n0.355221 0.366378 0.919173 O\n0.366378 0.355221 0.359228 O\n0.080827 0.640772 0.644779 O\n0.134354 0.134354 0.865646 O\n0.058060 0.841390 0.158610 O\n",
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{
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"structure_string": "Bi8 P12 O48\n1.0\n9.120766 0.000000 0.000000\n0.000000 9.141018 0.000000\n0.000000 8.988194 12.595746\nBi P O\n8 12 48\ndirect\n0.462194 0.131438 0.118703 Bi\n0.962194 0.868562 0.381297 Bi\n0.957932 0.629226 0.121551 Bi\n0.037806 0.131438 0.618703 Bi\n0.537806 0.868562 0.881297 Bi\n0.542068 0.629226 0.621551 Bi\n0.042068 0.370774 0.878449 Bi\n0.457932 0.370774 0.378449 Bi\n0.893406 0.049219 0.851754 P\n0.252414 0.540577 0.998465 P\n0.111708 0.250687 0.347142 P\n0.388292 0.250687 0.847142 P\n0.747586 0.459423 0.001535 P\n0.247586 0.540577 0.498465 P\n0.606594 0.049219 0.351754 P\n0.393406 0.950781 0.648246 P\n0.106594 0.950781 0.148246 P\n0.888292 0.749313 0.652858 P\n0.611708 0.749313 0.152858 P\n0.752414 0.459423 0.501535 P\n0.615073 0.231190 0.340659 O\n0.115073 0.768810 0.159341 O\n0.481324 0.054728 0.282154 O\n0.632786 0.480327 0.423790 O\n0.928316 0.892531 0.966387 O\n0.679756 0.269665 0.062893 O\n0.090991 0.169277 0.465012 O\n0.571684 0.892531 0.466387 O\n0.320244 0.730335 0.937107 O\n0.767265 0.667108 0.194202 O\n0.518676 0.945272 0.717846 O\n0.384927 0.768810 0.659341 O\n0.866087 0.606568 0.428813 O\n0.133913 0.393432 0.571187 O\n0.132786 0.519673 0.076210 O\n0.981324 0.945272 0.217846 O\n0.808107 0.476667 0.089261 O\n0.428316 0.107469 0.533613 O\n0.489146 0.605380 0.214713 O\n0.308107 0.523333 0.410739 O\n0.691893 0.476667 0.589261 O\n0.191893 0.523333 0.910739 O\n0.242098 0.963992 0.688277 O\n0.867214 0.480327 0.923790 O\n0.267265 0.332892 0.305798 O\n0.742098 0.036008 0.811723 O\n0.909009 0.830723 0.534988 O\n0.633913 0.606568 0.928813 O\n0.018676 0.054728 0.782154 O\n0.590991 0.830723 0.034988 O\n0.010854 0.605380 0.714713 O\n0.367214 0.519673 0.576210 O\n0.103530 0.103750 0.326501 O\n0.820244 0.269665 0.562893 O\n0.603530 0.896250 0.173499 O\n0.071684 0.107469 0.033613 O\n0.232735 0.332892 0.805798 O\n0.757902 0.036008 0.311723 O\n0.179756 0.730335 0.437107 O\n0.409009 0.169277 0.965012 O\n0.257902 0.963992 0.188277 O\n0.884927 0.231190 0.840659 O\n0.396470 0.103750 0.826501 O\n0.510854 0.394620 0.785287 O\n0.989146 0.394620 0.285287 O\n0.366087 0.393432 0.071187 O\n0.896470 0.896250 0.673499 O\n0.732735 0.667108 0.694202 O\n",
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{
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{
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{
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"nsites": 5,
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"elements": [
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"formula_full": "Yb1 Mg2 Sb2",
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{
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"structure_string": "Dy1 Ga2\n1.0\n2.112406 -3.658794 0.000000\n2.112406 3.658794 0.000000\n0.000000 0.000000 4.108850\nDy Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
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},
{
"id": "mp-1236465",
"created_at": "2022-09-04T14:41:09.175681Z",
"structure_string": "Cs4 Li1 Pb4 O6\n1.0\n-5.164013 -4.646098 4.547711\n-4.942723 4.646098 -4.333435\n5.164013 -4.646098 -4.547711\nCs Li Pb O\n4 1 4 6\ndirect\n0.041309 0.029210 0.994027 Cs\n0.541749 0.012931 0.534494 Cs\n0.464817 0.470790 0.012100 Cs\n0.021564 0.487069 0.528818 Cs\n0.709330 0.750000 0.959330 Li\n0.550828 0.524545 0.520209 Pb\n0.967916 0.966359 0.496765 Pb\n0.495664 0.975455 0.026282 Pb\n0.030406 0.533641 0.001557 Pb\n0.774860 0.557752 0.808986 O\n0.751234 0.942248 0.217108 O\n0.502908 0.750000 0.752908 O\n0.002435 0.250000 0.752435 O\n0.758387 0.742771 0.504364 O\n0.261593 0.757229 0.015616 O\n",
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"elements": [
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"O"
],
"chemical_system": "Cs-Li-O-Pb",
"density": 5.8299016695540535,
"density_atomic": 0.03598756371724311,
"volume": 416.8106548655553,
"volume_molar": 16.733949559121022,
"formula_full": "Cs4 Li1 Pb4 O6",
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"updated_at": "2021-11-28T01:35:13.636000Z",
"spacegroup": 5
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{
"id": "mp-9827",
"created_at": "2022-09-04T14:41:09.209277Z",
"structure_string": "Rb2 Hg4\n1.0\n-2.703651 4.324049 4.879641\n2.703651 -4.324049 4.879641\n2.703651 4.324049 -4.879641\nRb Hg\n2 4\ndirect\n0.302384 0.052384 0.250000 Rb\n0.697616 0.947616 0.750000 Rb\n0.103193 0.664671 0.438522 Hg\n0.896807 0.335329 0.561478 Hg\n0.273852 0.335329 0.938522 Hg\n0.726148 0.664671 0.061478 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Hg-Rb",
"density": 7.082796396387336,
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"volume": 228.18605487152593,
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"formula_full": "Rb2 Hg4",
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"updated_at": "2021-11-28T01:35:09.943000Z",
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}
]
}