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{
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{
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{
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"structure_string": "Ba4 Ca1 Zr5 O15\n1.0\n9.466194 0.000000 0.000000\n0.000000 9.466194 0.000000\n0.000000 0.000000 4.234504\nBa Ca Zr O\n4 1 5 15\ndirect\n0.699897 0.899806 0.500000 Ba\n0.899806 0.300103 0.500000 Ba\n0.100194 0.699897 0.500000 Ba\n0.300103 0.100194 0.500000 Ba\n0.500000 0.500000 0.500000 Ca\n0.201305 0.400449 0.000000 Zr\n0.400449 0.798695 0.000000 Zr\n0.599551 0.201305 0.000000 Zr\n0.798695 0.599551 0.000000 Zr\n0.000000 0.000000 0.000000 Zr\n0.301759 0.599120 0.000000 O\n0.500000 0.000000 0.000000 O\n0.698241 0.400880 0.000000 O\n0.899839 0.799825 0.000000 O\n0.100161 0.200175 0.000000 O\n0.000000 0.500000 0.000000 O\n0.200175 0.899839 0.000000 O\n0.400880 0.301759 0.000000 O\n0.599120 0.698241 0.000000 O\n0.799825 0.100161 0.000000 O\n0.201471 0.400480 0.500000 O\n0.400480 0.798529 0.500000 O\n0.599520 0.201471 0.500000 O\n0.798529 0.599520 0.500000 O\n0.000000 0.000000 0.500000 O\n",
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{
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"structure_string": "Ba4 Ca1 Zr5 O15\n1.0\n4.238334 0.000000 0.000000\n0.000000 4.238334 0.000000\n0.000000 0.000000 21.197961\nBa Ca Zr O\n4 1 5 15\ndirect\n0.500000 0.500000 0.801220 Ba\n0.500000 0.500000 0.600039 Ba\n0.500000 0.500000 0.399961 Ba\n0.500000 0.500000 0.198780 Ba\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.097363 Zr\n0.000000 0.000000 0.902637 Zr\n0.000000 0.000000 0.700568 Zr\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.299432 Zr\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.801122 O\n0.000000 0.000000 0.600271 O\n0.000000 0.000000 0.399729 O\n0.000000 0.000000 0.198878 O\n0.500000 0.000000 0.904455 O\n0.500000 0.000000 0.700290 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.299710 O\n0.500000 0.000000 0.095545 O\n0.000000 0.500000 0.095545 O\n0.000000 0.500000 0.904455 O\n0.000000 0.500000 0.700290 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.299710 O\n",
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{
"id": "mp-1355181",
"created_at": "2022-09-04T14:40:30.190699Z",
"structure_string": "Ba4 Ca1 V4 Cu2 F28\n1.0\n2.721293 7.118306 0.000000\n-2.721293 7.118306 0.000000\n0.000000 0.369298 15.179745\nBa Ca V Cu F\n4 1 4 2 28\ndirect\n0.096305 0.264424 0.623277 Ba\n0.265278 0.107464 0.125174 Ba\n0.735576 0.903695 0.376723 Ba\n0.892536 0.734722 0.874826 Ba\n0.579081 0.420919 0.000000 Ca\n0.147359 0.100258 0.875401 V\n0.899742 0.852641 0.124599 V\n0.102545 0.144413 0.377941 V\n0.855587 0.897455 0.622059 V\n0.502637 0.501829 0.749754 Cu\n0.498171 0.497363 0.250246 Cu\n0.397942 0.897997 0.296771 F\n0.178866 0.590288 0.037500 F\n0.589277 0.160960 0.543942 F\n0.126390 0.709542 0.233927 F\n0.641416 0.039910 0.025640 F\n0.926875 0.086818 0.096350 F\n0.491470 0.615494 0.136850 F\n0.509422 0.377328 0.358463 F\n0.064065 0.932429 0.601999 F\n0.290458 0.873610 0.766073 F\n0.622672 0.490578 0.641537 F\n0.067571 0.935935 0.398001 F\n0.351903 0.991137 0.469105 F\n0.859398 0.637555 0.147980 F\n0.913182 0.073125 0.903650 F\n0.362445 0.140602 0.852020 F\n0.136760 0.357651 0.349113 F\n0.409712 0.821134 0.962500 F\n0.594472 0.113505 0.203806 F\n0.839040 0.410723 0.456058 F\n0.102003 0.602058 0.703229 F\n0.384506 0.508530 0.863150 F\n0.701902 0.126420 0.727630 F\n0.642349 0.863240 0.650887 F\n0.008863 0.648097 0.530895 F\n0.960090 0.358584 0.974360 F\n0.886495 0.405528 0.796194 F\n0.873580 0.298098 0.272370 F\n",
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{
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{
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"structure_string": "Ba4 Ca1 Ti5 O15\n1.0\n4.009037 0.000000 0.000000\n0.000000 4.009037 0.000000\n0.000000 0.000000 20.038209\nBa Ca Ti O\n4 1 5 15\ndirect\n0.000000 0.000000 0.198295 Ba\n0.000000 0.000000 0.399988 Ba\n0.000000 0.000000 0.600012 Ba\n0.000000 0.000000 0.801705 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.095848 Ti\n0.500000 0.500000 0.299251 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.700749 Ti\n0.500000 0.500000 0.904152 Ti\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.198292 O\n0.500000 0.500000 0.399833 O\n0.500000 0.500000 0.600167 O\n0.500000 0.500000 0.801708 O\n0.500000 0.000000 0.093262 O\n0.500000 0.000000 0.299693 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.700307 O\n0.500000 0.000000 0.906738 O\n0.000000 0.500000 0.093262 O\n0.000000 0.500000 0.299693 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.700307 O\n0.000000 0.500000 0.906738 O\n",
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{
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{
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}