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{
"id": "mp-1228196",
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"structure_string": "Ba6 Yb2 Ir2 Ru2 O18\n1.0\n-2.974564 -5.152163 0.000000\n-5.949129 0.000000 0.000000\n0.000000 0.000000 -14.628625\nBa Yb Ir Ru O\n6 2 2 2 18\ndirect\n0.333350 0.333325 0.408553 Ba\n0.666662 0.666669 0.592623 Ba\n0.666650 0.666675 0.908553 Ba\n0.333338 0.333331 0.092623 Ba\n0.999988 0.000006 0.749288 Ba\n0.000012 0.999994 0.249288 Ba\n0.000002 0.999999 0.500932 Yb\n0.999998 0.000001 0.000932 Yb\n0.333340 0.333330 0.663692 Ir\n0.666660 0.666670 0.163692 Ir\n0.666661 0.666669 0.338813 Ru\n0.333339 0.333331 0.838813 Ru\n0.489172 0.021674 0.749946 O\n0.021688 0.489156 0.749947 O\n0.489172 0.489154 0.749946 O\n0.510828 0.978326 0.249946 O\n0.978312 0.510844 0.249947 O\n0.510828 0.510846 0.249946 O\n0.177494 0.645027 0.910309 O\n0.645025 0.177487 0.910314 O\n0.177494 0.177479 0.910309 O\n0.822810 0.354365 0.088443 O\n0.354359 0.822820 0.088442 O\n0.822810 0.822826 0.088443 O\n0.822506 0.354973 0.410309 O\n0.354975 0.822513 0.410314 O\n0.822506 0.822521 0.410309 O\n0.177190 0.645635 0.588443 O\n0.645641 0.177180 0.588442 O\n0.177190 0.177174 0.588443 O\n",
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{
"id": "mp-1228020",
"created_at": "2022-09-04T14:44:58.651507Z",
"structure_string": "Ba6 Y2 Ir2 Ru2 O18\n1.0\n2.973264 -5.149845 0.000000\n2.973264 5.149845 0.000000\n0.000000 0.000000 14.734179\nBa Y Ir Ru O\n6 2 2 2 18\ndirect\n0.666667 0.333333 0.404562 Ba\n0.333333 0.666667 0.596012 Ba\n0.333333 0.666667 0.904562 Ba\n0.666667 0.333333 0.096012 Ba\n0.000000 0.000000 0.749813 Ba\n0.000000 0.000000 0.249813 Ba\n0.000000 0.000000 0.501237 Y\n0.000000 0.000000 0.001237 Y\n0.666667 0.333333 0.664895 Ir\n0.333333 0.666667 0.164895 Ir\n0.333333 0.666667 0.336382 Ru\n0.666667 0.333333 0.836382 Ru\n0.509730 0.019460 0.750493 O\n0.509730 0.490270 0.750493 O\n0.980540 0.490270 0.750493 O\n0.490270 0.980540 0.250493 O\n0.490270 0.509730 0.250493 O\n0.019460 0.509730 0.250493 O\n0.824015 0.648030 0.910633 O\n0.824015 0.175985 0.910633 O\n0.351970 0.175985 0.910633 O\n0.175300 0.350600 0.087872 O\n0.175300 0.824700 0.087872 O\n0.649400 0.824700 0.087872 O\n0.175985 0.351970 0.410633 O\n0.175985 0.824015 0.410633 O\n0.648030 0.824015 0.410633 O\n0.824700 0.649400 0.587872 O\n0.824700 0.175300 0.587872 O\n0.350600 0.175300 0.587872 O\n",
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"formula_full": "Ba6 Y2 Ir2 Ru2 O18",
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{
"id": "mp-1227963",
"created_at": "2022-09-04T14:47:25.994616Z",
"structure_string": "Ba6 Tm2 Ir2 Ru2 O18\n1.0\n2.963218 -5.132444 0.000000\n2.963218 5.132444 0.000000\n0.000000 0.000000 14.610421\nBa Tm Ir Ru O\n6 2 2 2 18\ndirect\n0.666667 0.333333 0.406168 Ba\n0.333333 0.666667 0.593987 Ba\n0.333333 0.666667 0.906168 Ba\n0.666667 0.333333 0.093987 Ba\n0.000000 0.000000 0.749898 Ba\n0.000000 0.000000 0.249898 Ba\n0.000000 0.000000 0.500844 Tm\n0.000000 0.000000 0.000844 Tm\n0.666667 0.333333 0.663458 Ir\n0.333333 0.666667 0.163458 Ir\n0.333333 0.666667 0.337757 Ru\n0.666667 0.333333 0.837757 Ru\n0.509769 0.019538 0.750358 O\n0.509769 0.490231 0.750358 O\n0.980462 0.490231 0.750358 O\n0.490231 0.980462 0.250358 O\n0.490231 0.509769 0.250358 O\n0.019538 0.509769 0.250358 O\n0.824701 0.649402 0.913135 O\n0.824701 0.175299 0.913135 O\n0.350598 0.175299 0.913135 O\n0.174444 0.348887 0.085802 O\n0.174444 0.825556 0.085802 O\n0.651113 0.825556 0.085802 O\n0.175299 0.350598 0.413135 O\n0.175299 0.824701 0.413135 O\n0.649402 0.824701 0.413135 O\n0.825556 0.651113 0.585802 O\n0.825556 0.174444 0.585802 O\n0.348887 0.174444 0.585802 O\n",
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"formula_full": "Ba6 Tm2 Ir2 Ru2 O18",
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{
"id": "mp-1228219",
"created_at": "2022-09-04T14:39:13.847200Z",
"structure_string": "Ba6 Tb2 Ir2 Ru2 O18\n1.0\n2.980506 -5.162388 0.000000\n2.980506 5.162388 0.000000\n0.000000 0.000000 14.775724\nBa Tb Ir Ru O\n6 2 2 2 18\ndirect\n0.333333 0.666667 0.594547 Ba\n0.666667 0.333333 0.404380 Ba\n0.666667 0.333333 0.094547 Ba\n0.333333 0.666667 0.904380 Ba\n0.000000 0.000000 0.250144 Ba\n0.000000 0.000000 0.750144 Ba\n0.000000 0.000000 0.498640 Tb\n0.000000 0.000000 0.998640 Tb\n0.333333 0.666667 0.335244 Ir\n0.666667 0.333333 0.835244 Ir\n0.666667 0.333333 0.663696 Ru\n0.333333 0.666667 0.163696 Ru\n0.490042 0.509958 0.249298 O\n0.490042 0.980084 0.249298 O\n0.019916 0.509958 0.249298 O\n0.509958 0.490042 0.749298 O\n0.509958 0.019916 0.749298 O\n0.980084 0.490042 0.749298 O\n0.176309 0.823691 0.089274 O\n0.176309 0.352618 0.089274 O\n0.647382 0.823691 0.089274 O\n0.824441 0.175559 0.912571 O\n0.824441 0.648883 0.912571 O\n0.351117 0.175559 0.912571 O\n0.823691 0.176309 0.589274 O\n0.823691 0.647382 0.589274 O\n0.352618 0.176309 0.589274 O\n0.175559 0.824441 0.412571 O\n0.175559 0.351117 0.412571 O\n0.648883 0.824441 0.412571 O\n",
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"formula_full": "Ba6 Tb2 Ir2 Ru2 O18",
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{
"id": "mp-1228168",
"created_at": "2022-09-04T14:46:40.897917Z",
"structure_string": "Ba6 Sm2 Ir2 Ru2 O18\n1.0\n3.001861 -5.199375 0.000000\n3.001861 5.199375 0.000000\n0.000000 0.000000 14.842844\nBa Sm Ir Ru O\n6 2 2 2 18\ndirect\n0.333333 0.666667 0.597411 Ba\n0.666667 0.333333 0.401992 Ba\n0.666667 0.333333 0.097411 Ba\n0.333333 0.666667 0.901992 Ba\n0.000000 0.000000 0.250315 Ba\n0.000000 0.000000 0.750315 Ba\n0.000000 0.000000 0.498910 Sm\n0.000000 0.000000 0.998910 Sm\n0.333333 0.666667 0.334340 Ir\n0.666667 0.333333 0.834340 Ir\n0.666667 0.333333 0.664449 Ru\n0.333333 0.666667 0.164449 Ru\n0.178327 0.356655 0.089579 O\n0.643345 0.821673 0.089579 O\n0.178327 0.821673 0.089579 O\n0.822342 0.644684 0.911637 O\n0.355316 0.177658 0.911637 O\n0.822342 0.177658 0.911637 O\n0.821673 0.643345 0.589579 O\n0.356655 0.178327 0.589579 O\n0.821673 0.178327 0.589579 O\n0.177658 0.355316 0.411637 O\n0.644684 0.822342 0.411637 O\n0.177658 0.822342 0.411637 O\n0.489335 0.510665 0.249650 O\n0.489335 0.978669 0.249650 O\n0.021331 0.510665 0.249650 O\n0.510665 0.489335 0.749650 O\n0.510665 0.021331 0.749650 O\n0.978669 0.489335 0.749650 O\n",
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"formula_full": "Ba6 Sm2 Ir2 Ru2 O18",
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{
"id": "mp-1228864",
"created_at": "2022-09-04T14:45:14.930398Z",
"structure_string": "Ba10 Pr5 Ir1 Ru4 O30\n1.0\n3.049298 -3.034007 -4.325411\n18.462517 0.000000 17.211386\n-3.049298 -3.034007 4.325411\nBa Pr Ir Ru O\n10 5 1 4 30\ndirect\n0.248078 0.251940 0.751922 Ba\n0.647659 0.450920 0.352341 Ba\n0.047682 0.650936 0.952318 Ba\n0.447536 0.850620 0.552464 Ba\n0.847598 0.050137 0.152402 Ba\n0.952464 0.349380 0.047536 Ba\n0.352318 0.549064 0.647682 Ba\n0.752341 0.749080 0.247659 Ba\n0.151922 0.948060 0.848078 Ba\n0.552402 0.149863 0.447598 Ba\n0.299981 0.400089 0.700019 Pr\n0.700000 0.600000 0.300000 Pr\n0.100019 0.799911 0.899981 Pr\n0.500141 0.000073 0.499859 Pr\n0.899859 0.199927 0.100141 Pr\n0.200000 0.100000 0.800000 Ir\n0.599915 0.299751 0.400085 Ru\n0.000024 0.499935 0.999976 Ru\n0.399976 0.700065 0.600024 Ru\n0.800085 0.900249 0.199915 Ru\n0.459325 0.345450 0.077833 O\n0.859472 0.545623 0.677982 O\n0.259621 0.745612 0.278279 O\n0.659661 0.945880 0.878082 O\n0.059736 0.145434 0.477742 O\n0.922167 0.345450 0.540675 O\n0.322018 0.545623 0.140528 O\n0.721721 0.745612 0.740379 O\n0.121918 0.945880 0.340339 O\n0.522258 0.145434 0.940264 O\n0.740339 0.254120 0.721918 O\n0.140379 0.454388 0.321721 O\n0.540528 0.654377 0.922018 O\n0.940675 0.854550 0.522167 O\n0.340264 0.054566 0.122258 O\n0.278082 0.254120 0.259661 O\n0.678279 0.454388 0.859621 O\n0.077982 0.654377 0.459472 O\n0.477833 0.854550 0.059325 O\n0.877742 0.054566 0.659736 O\n0.138068 0.454426 0.861932 O\n0.538252 0.654412 0.461748 O\n0.938362 0.854578 0.061638 O\n0.338491 0.054629 0.661509 O\n0.738056 0.254158 0.261944 O\n0.061509 0.145371 0.938491 O\n0.461638 0.345422 0.538362 O\n0.861748 0.545588 0.138252 O\n0.261932 0.745574 0.738068 O\n0.661944 0.945842 0.338056 O\n",
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"formula_full": "Ba10 Pr5 Ir1 Ru4 O30",
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{
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"created_at": "2022-09-04T14:41:18.812170Z",
"structure_string": "Ba6 Pr2 Ir2 Ru2 O18\n1.0\n3.016423 -5.224598 0.000000\n3.016423 5.224598 0.000000\n0.000000 0.000000 15.007620\nBa Pr Ir Ru O\n6 2 2 2 18\ndirect\n0.000000 0.000000 0.250320 Ba\n0.000000 0.000000 0.750320 Ba\n0.333333 0.666667 0.599349 Ba\n0.666667 0.333333 0.399706 Ba\n0.666667 0.333333 0.099349 Ba\n0.333333 0.666667 0.899706 Ba\n0.000000 0.000000 0.498957 Pr\n0.000000 0.000000 0.998957 Pr\n0.333333 0.666667 0.333036 Ir\n0.666667 0.333333 0.833036 Ir\n0.666667 0.333333 0.665572 Ru\n0.333333 0.666667 0.165572 Ru\n0.489909 0.510091 0.249232 O\n0.489909 0.979819 0.249232 O\n0.020181 0.510091 0.249232 O\n0.510091 0.489909 0.749232 O\n0.510091 0.020181 0.749232 O\n0.979819 0.489909 0.749232 O\n0.179681 0.820319 0.092209 O\n0.179681 0.359361 0.092209 O\n0.640639 0.820319 0.092209 O\n0.820904 0.179096 0.909578 O\n0.820904 0.641808 0.909578 O\n0.358192 0.179096 0.909578 O\n0.820319 0.179681 0.592209 O\n0.820319 0.640639 0.592209 O\n0.359361 0.179681 0.592209 O\n0.179096 0.820904 0.409578 O\n0.179096 0.358192 0.409578 O\n0.641808 0.820904 0.409578 O\n",
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{
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"structure_string": "Ba6 Pr2 Ir4 O18\n1.0\n3.013896 -5.220221 0.000000\n3.013896 5.220221 0.000000\n0.000000 0.000000 15.033355\nBa Pr Ir O\n6 2 4 18\ndirect\n0.333333 0.666667 0.097959 Ba\n0.666667 0.333333 0.902041 Ba\n0.666667 0.333333 0.597959 Ba\n0.333333 0.666667 0.402041 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.333333 0.666667 0.666454 Ir\n0.666667 0.333333 0.333546 Ir\n0.666667 0.333333 0.166454 Ir\n0.333333 0.666667 0.833546 Ir\n0.179424 0.358848 0.590633 O\n0.820576 0.641152 0.409367 O\n0.641152 0.820576 0.590633 O\n0.820576 0.641152 0.090633 O\n0.358848 0.179424 0.409367 O\n0.179424 0.358848 0.909367 O\n0.179424 0.820576 0.590633 O\n0.358848 0.179424 0.090633 O\n0.820576 0.179424 0.409367 O\n0.641152 0.820576 0.909367 O\n0.820576 0.179424 0.090633 O\n0.179424 0.820576 0.909367 O\n0.509221 0.018443 0.250000 O\n0.490779 0.981557 0.750000 O\n0.981557 0.490779 0.250000 O\n0.018443 0.509221 0.750000 O\n0.509221 0.490779 0.250000 O\n0.490779 0.509221 0.750000 O\n",
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{
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{
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"structure_string": "Ba2 Pr1 Ir1 O6\n1.0\n0.000000 4.314672 4.314672\n4.314672 0.000000 4.314672\n4.314672 4.314672 0.000000\nBa Pr Ir O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ir\n0.730017 0.269983 0.730017 O\n0.269983 0.269983 0.730017 O\n0.730017 0.730017 0.269983 O\n0.730017 0.269983 0.269983 O\n0.269983 0.730017 0.269983 O\n0.269983 0.730017 0.730017 O\n",
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{
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Ba\n0.355548 0.998370 0.640498 Ba\n0.657823 0.653956 0.640802 Ba\n0.997776 0.360337 0.640939 Ba\n0.644452 0.642822 0.359502 Ba\n0.002224 0.362561 0.359061 Ba\n0.342177 0.996133 0.359198 Ba\n0.336951 0.312238 0.570211 Ba\n0.982859 0.667094 0.569922 Ba\n0.681161 0.011648 0.570605 Ba\n0.663049 0.975287 0.429789 Ba\n0.318839 0.330487 0.429395 Ba\n0.017141 0.684235 0.430078 Ba\n0.668445 0.667314 0.501812 Ba\n1.000000 0.337194 0.500000 Ba\n0.331555 0.998869 0.498188 Ba\n0.662204 0.332195 0.889422 Ir\n0.337796 0.669990 0.110578 Ir\n0.672393 0.337842 0.612094 Ir\n0.327607 0.665449 0.387906 Ir\n0.989269 0.994710 0.544325 Ir\n0.010731 0.005440 0.455675 Ir\n0.665707 0.331150 0.523949 Ir\n0.334293 0.665443 0.476051 Ir\n0.333993 0.669610 0.668624 Ir\n0.666007 0.335616 0.331376 Ir\n0.000081 0.999437 0.903320 Ir\n0.999919 0.999357 0.096680 Ir\n0.002171 0.000364 0.819102 Ir\n0.997829 0.998193 0.180898 Ir\n0.670211 0.332051 0.972908 Ir\n0.329789 0.661840 0.027092 Ir\n0.327631 0.660942 0.837055 Ir\n0.672369 0.333311 0.162945 Ir\n0.994687 0.992970 0.735563 Ir\n0.005313 0.998283 0.264437 Ir\n0.671305 0.339009 0.803844 Ir\n0.328695 0.667703 0.196156 Ir\n0.334579 0.667271 0.752626 Ir\n0.665421 0.332693 0.247374 Ir\n0.000000 0.978851 1.000000 Pd\n0.404994 0.740424 0.932402 Pd\n0.595006 0.335430 0.067598 Pd\n0.598702 0.263980 0.708003 Pd\n0.401298 0.665278 0.291997 Pd\n0.064184 0.066603 0.640195 Pd\n0.935816 0.002420 0.359805 Pd\n0.666196 0.313790 0.427490 Pd\n0.333804 0.647594 0.572510 Pd\n0.326878 0.814871 0.984819 O\n0.491165 0.676232 0.985123 O\n0.169624 0.489649 0.993766 O\n0.673122 0.487994 0.015181 O\n0.830376 0.320025 0.006234 O\n0.508835 0.185067 0.014877 O\n0.814674 0.325110 0.848721 O\n0.505092 0.179350 0.847753 O\n0.668342 0.491702 0.848326 O\n0.185326 0.510436 0.151279 O\n0.331658 0.823360 0.151674 O\n0.494908 0.674258 0.152247 O\n0.993081 0.144257 0.692720 O\n0.149590 0.002446 0.692658 O\n0.828716 0.819433 0.703920 O\n0.006919 0.151176 0.307280 O\n0.171284 0.990716 0.296080 O\n0.850410 0.852855 0.307342 O\n0.677034 0.189506 0.655790 O\n0.514100 0.326509 0.654506 O\n0.833255 0.511399 0.645224 O\n0.322966 0.512472 0.344210 O\n0.166745 0.678145 0.354776 O\n0.485900 0.812410 0.345494 O\n0.497941 0.824168 0.631286 O\n0.324650 0.512844 0.627566 O\n0.186087 0.683129 0.629617 O\n0.502059 0.326228 0.368714 O\n0.813913 0.497042 0.370383 O\n0.675350 0.188194 0.372434 O\n0.829804 0.341492 0.567388 O\n0.511691 0.167575 0.568347 O\n0.657008 0.481749 0.567274 O\n0.170196 0.511689 0.432612 O\n0.342992 0.824741 0.432726 O\n0.488309 0.655885 0.431653 O\n0.998519 0.151476 0.587585 O\n0.140681 0.994845 0.587101 O\n0.816967 0.828957 0.575717 O\n0.001481 0.152957 0.412415 O\n0.183033 0.011990 0.424283 O\n0.859319 0.854164 0.412899 O\n0.328694 0.515042 0.517542 O\n0.180907 0.672023 0.513107 O\n0.489566 0.819850 0.514291 O\n0.671306 0.186348 0.482458 O\n0.510434 0.330284 0.485709 O\n0.819093 0.491117 0.486893 O\n0.000000 0.849448 0.500000 O\n0.849240 0.003987 0.497586 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O\n0.838647 0.499265 0.772047 O\n0.336090 0.522378 0.238663 O\n0.161353 0.660618 0.227953 O\n0.475800 0.813637 0.240085 O\n0.490683 0.823179 0.794275 O\n0.329292 0.505930 0.792941 O\n0.182233 0.673962 0.793364 O\n0.509317 0.332496 0.205725 O\n0.817767 0.491730 0.206636 O\n0.670708 0.176638 0.207059 O\n0.341441 0.831160 0.712117 O\n0.487276 0.656235 0.711445 O\n0.168503 0.510916 0.711770 O\n0.658559 0.489718 0.287883 O\n0.831497 0.342413 0.288230 O\n0.512724 0.168959 0.288555 O\n",
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}
]
}