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{
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"spacegroup": 7
},
{
"id": "mp-1217043",
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"structure_string": "U2 Cu5 Ni5\n1.0\n2.385526 4.210067 0.000000\n-2.385526 4.210067 0.000000\n0.000000 2.683054 7.890380\nU Cu Ni\n2 5 5\ndirect\n0.003240 0.003240 0.001892 U\n0.504111 0.504111 0.499391 U\n0.059419 0.563204 0.811977 Cu\n0.558437 0.063945 0.311399 Cu\n0.563204 0.059419 0.811977 Cu\n0.063945 0.558437 0.311399 Cu\n0.811173 0.811173 0.564619 Cu\n0.311962 0.311962 0.062335 Ni\n0.561946 0.561946 0.811789 Ni\n0.062131 0.062131 0.312676 Ni\n0.125764 0.125764 0.624002 Ni\n0.624668 0.624668 0.126545 Ni\n",
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"formula_full": "U2 Cu5 Ni5",
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{
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{
"id": "mp-976727",
"created_at": "2022-09-04T14:41:45.730299Z",
"structure_string": "Pr1 Bi1 O3\n1.0\n4.448834 0.000000 0.000000\n0.000000 4.448834 0.000000\n0.000000 0.000000 4.448834\nPr Bi O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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},
{
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"created_at": "2022-09-04T14:41:45.666879Z",
"structure_string": "Mg3 Zn3 As4\n1.0\n2.127094 7.502541 0.000000\n-2.127094 7.502541 0.000000\n0.000000 3.385865 6.413894\nMg Zn As\n3 3 4\ndirect\n0.682921 0.682921 0.981799 Mg\n0.180709 0.180709 0.491427 Mg\n0.330986 0.330986 0.004759 Mg\n0.809639 0.809639 0.520734 Zn\n0.010234 0.010234 0.995591 Zn\n0.499390 0.499390 0.499205 Zn\n0.386014 0.386014 0.303904 As\n0.889193 0.889193 0.762339 As\n0.603760 0.603760 0.726629 As\n0.116026 0.116026 0.213614 As\n",
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{
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"structure_string": "Li12 Ni8 P12 O48\n1.0\n6.597959 7.181859 0.000000\n-6.597959 7.181859 0.000000\n0.000000 0.950562 9.649676\nLi Ni P O\n12 8 12 48\ndirect\n0.249712 0.375611 0.197268 Li\n0.624389 0.750288 0.802732 Li\n0.981544 0.502383 0.242780 Li\n0.497617 0.018456 0.757220 Li\n0.444439 0.225402 0.520973 Li\n0.774598 0.555561 0.479027 Li\n0.757767 0.981038 0.601751 Li\n0.767626 0.733078 0.181211 Li\n0.018962 0.242233 0.398249 Li\n0.070631 0.701030 0.018313 Li\n0.266922 0.232374 0.818789 Li\n0.298970 0.929369 0.981687 Li\n0.467370 0.532630 0.500000 Ni\n0.250245 0.749755 0.500000 Ni\n0.746454 0.030169 0.214904 Ni\n0.969831 0.253546 0.785096 Ni\n0.035766 0.750287 0.717272 Ni\n0.249713 0.964234 0.282728 Ni\n0.751730 0.248270 0.000000 Ni\n0.533787 0.466213 0.000000 Ni\n0.050772 0.172743 0.097293 P\n0.162665 0.447798 0.572520 P\n0.449609 0.157104 0.072699 P\n0.948513 0.821052 0.405977 P\n0.660537 0.321113 0.699170 P\n0.827257 0.949228 0.902707 P\n0.347551 0.680340 0.801315 P\n0.552202 0.837335 0.427480 P\n0.319660 0.652449 0.198685 P\n0.842896 0.550391 0.927301 P\n0.178948 0.051487 0.594023 P\n0.678887 0.339463 0.300830 P\n0.800485 0.905371 0.058674 O\n0.109072 0.824346 0.372485 O\n0.910725 0.819898 0.564804 O\n0.593415 0.197140 0.652181 O\n0.377261 0.671322 0.639229 O\n0.085518 0.286019 0.187862 O\n0.594374 0.904634 0.553727 O\n0.409750 0.314790 0.072617 O\n0.713981 0.914482 0.812138 O\n0.610371 0.122970 0.075911 O\n0.884646 0.962269 0.348667 O\n0.890429 0.161982 0.124195 O\n0.461259 0.594651 0.138531 O\n0.672219 0.375747 0.139899 O\n0.303537 0.103681 0.657215 O\n0.838018 0.109571 0.875805 O\n0.687450 0.181685 0.337971 O\n0.115539 0.375613 0.712822 O\n0.818315 0.312550 0.662029 O\n0.399360 0.098569 0.943151 O\n0.624387 0.884461 0.287178 O\n0.175654 0.890928 0.627515 O\n0.970200 0.876162 0.863513 O\n0.128404 0.607743 0.582715 O\n0.685210 0.590250 0.927383 O\n0.191528 0.695107 0.844774 O\n0.037731 0.115354 0.651333 O\n0.095366 0.405626 0.446273 O\n0.123838 0.029800 0.136487 O\n0.896319 0.696463 0.342785 O\n0.901431 0.600640 0.056849 O\n0.197345 0.579374 0.155505 O\n0.328678 0.622739 0.360771 O\n0.321636 0.406838 0.561729 O\n0.405349 0.538741 0.861469 O\n0.624253 0.327781 0.860101 O\n0.386753 0.094884 0.210979 O\n0.877030 0.389629 0.924089 O\n0.537541 0.388384 0.371636 O\n0.420626 0.802655 0.844495 O\n0.611616 0.462459 0.628364 O\n0.593162 0.678364 0.438271 O\n0.180102 0.089275 0.435196 O\n0.905116 0.613247 0.789021 O\n0.392257 0.871596 0.417285 O\n0.304893 0.808472 0.155226 O\n0.094629 0.199515 0.941326 O\n0.802860 0.406585 0.347819 O\n",
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{
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"structure_string": "Cs12 Ce4 Cl24\n1.0\n4.285320 13.694252 0.000000\n-4.285320 13.694252 0.000000\n0.000000 2.272419 13.398447\nCs Ce Cl\n12 4 24\ndirect\n0.300114 0.797639 0.066876 Cs\n0.699886 0.202361 0.933124 Cs\n0.202361 0.699886 0.433124 Cs\n0.797639 0.300114 0.566876 Cs\n0.464600 0.842160 0.356171 Cs\n0.535400 0.157840 0.643829 Cs\n0.157840 0.535400 0.143829 Cs\n0.842160 0.464600 0.856171 Cs\n0.649986 0.026258 0.299301 Cs\n0.350014 0.973742 0.700699 Cs\n0.973742 0.350014 0.200699 Cs\n0.026258 0.649986 0.799301 Cs\n0.782360 0.217640 0.250000 Ce\n0.217640 0.782360 0.750000 Ce\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.619988 0.726325 0.081308 Cl\n0.380012 0.273675 0.918692 Cl\n0.273675 0.380012 0.418692 Cl\n0.726325 0.619988 0.581308 Cl\n0.499655 0.383854 0.179045 Cl\n0.500345 0.616146 0.820955 Cl\n0.616146 0.500345 0.320955 Cl\n0.383854 0.499655 0.679045 Cl\n0.779677 0.865241 0.034926 Cl\n0.220323 0.134759 0.965074 Cl\n0.134759 0.220323 0.465074 Cl\n0.865241 0.779677 0.534926 Cl\n0.917905 0.966295 0.696686 Cl\n0.082095 0.033705 0.303314 Cl\n0.033705 0.082095 0.803314 Cl\n0.966295 0.917905 0.196686 Cl\n0.718066 0.165985 0.434234 Cl\n0.281934 0.834015 0.565766 Cl\n0.834015 0.281934 0.065766 Cl\n0.165985 0.718066 0.934234 Cl\n0.360896 0.139806 0.184941 Cl\n0.639104 0.860194 0.815059 Cl\n0.860194 0.639104 0.315059 Cl\n0.139806 0.360896 0.684941 Cl\n",
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{
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"structure_string": "Ba1 Zr1 P2 O8\n1.0\n2.691976 4.348860 0.000000\n-2.691976 4.348860 0.000000\n0.000000 0.455473 8.003557\nBa Zr P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.637709 0.637709 0.221347 P\n0.362291 0.362291 0.778653 P\n0.313331 0.313331 0.599177 O\n0.686669 0.686669 0.400823 O\n0.302350 0.772886 0.190058 O\n0.772886 0.302350 0.190058 O\n0.773500 0.773500 0.088153 O\n0.697650 0.227114 0.809942 O\n0.226500 0.226500 0.911847 O\n0.227114 0.697650 0.809942 O\n",
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