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{
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"updated_at": "2022-09-04T16:03:17.660306Z",
"structure_string": "Nd4 Mg2 Ru2 O12\n1.0\n5.443301 0.000000 0.000000\n0.000000 5.673116 0.000000\n-5.410991 0.000000 7.781379\nMg Nd O Ru\n2 4 12 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.765370 0.061482 0.249795 Nd\n0.234630 0.561482 0.250205 Nd\n0.765370 0.438518 0.749795 Nd\n0.234630 0.938518 0.750205 Nd\n0.749431 0.798527 0.048014 O\n0.853130 0.293714 0.050356 O\n0.342941 0.975257 0.248462 O\n0.657059 0.475257 0.251538 O\n0.146870 0.793714 0.449644 O\n0.250569 0.298527 0.451986 O\n0.749431 0.701473 0.548014 O\n0.853130 0.206286 0.550356 O\n0.342941 0.524743 0.748462 O\n0.657059 0.024743 0.751538 O\n0.146870 0.706286 0.949644 O\n0.250569 0.201473 0.951986 O\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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{
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"updated_at": "2022-09-04T16:03:17.659682Z",
"structure_string": "Y4 Mg2 Ir2 O12\n1.0\n5.319172 0.000000 0.000000\n0.000000 5.642099 0.000000\n-5.277937 0.000000 7.643762\nIr Mg O Y\n2 2 12 4\ndirect\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.747225 0.695507 0.058954 O\n0.873866 0.196319 0.059330 O\n0.367616 0.542527 0.248522 O\n0.632384 0.042527 0.251478 O\n0.126134 0.696319 0.440670 O\n0.252775 0.195507 0.441046 O\n0.747225 0.804493 0.558954 O\n0.873866 0.303681 0.559330 O\n0.367616 0.957473 0.748522 O\n0.632384 0.457473 0.751478 O\n0.126134 0.803681 0.940670 O\n0.252775 0.304493 0.941046 O\n0.770988 0.427610 0.248863 Y\n0.229012 0.927610 0.251137 Y\n0.770988 0.072390 0.748863 Y\n0.229012 0.572390 0.751137 Y\n",
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{
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"created_at": "2022-09-04T16:03:17.659505Z",
"updated_at": "2022-09-04T16:03:17.659538Z",
"structure_string": "Sm4 Mg2 Mn2 O12\n1.0\n5.344605 0.000000 0.000000\n0.000000 5.551696 0.000000\n-5.330089 0.000000 7.636372\nMg Mn O Sm\n2 2 12 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.256865 0.696239 0.045615 O\n0.354814 0.212776 0.048425 O\n0.831177 0.525565 0.242179 O\n0.168823 0.025565 0.257821 O\n0.645186 0.712776 0.451575 O\n0.743135 0.196239 0.454385 O\n0.256865 0.803761 0.545615 O\n0.354814 0.287224 0.548425 O\n0.831177 0.974435 0.742179 O\n0.168823 0.474435 0.757821 O\n0.645186 0.787224 0.951575 O\n0.743135 0.303761 0.954385 O\n0.263002 0.443197 0.249413 Sm\n0.736998 0.943197 0.250587 Sm\n0.263002 0.056803 0.749413 Sm\n0.736998 0.556803 0.750587 Sm\n",
"nsites": 20,
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{
"id": "oqmd-1759414",
"created_at": "2022-09-04T16:03:17.656408Z",
"updated_at": "2022-09-04T16:03:17.656436Z",
"structure_string": "Sr6 Re2 O12\n1.0\n5.820247 0.000000 0.000000\n0.000000 6.021461 0.000000\n-5.770822 0.000000 8.321042\nO Re Sr\n12 2 6\ndirect\n0.778042 0.175047 0.048778 O\n0.893868 0.731358 0.060181 O\n0.322069 0.038177 0.219538 O\n0.677931 0.538177 0.280462 O\n0.106132 0.231358 0.439819 O\n0.221958 0.675047 0.451222 O\n0.778042 0.324953 0.548778 O\n0.893868 0.768642 0.560181 O\n0.322069 0.461823 0.719538 O\n0.677931 0.961823 0.780462 O\n0.106132 0.268642 0.939819 O\n0.221958 0.824953 0.951222 O\n0.000000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Re\n0.500000 0.500000 0.000000 Sr\n0.763212 0.945475 0.248656 Sr\n0.236788 0.445475 0.251344 Sr\n0.500000 0.000000 0.500000 Sr\n0.763212 0.554525 0.748656 Sr\n0.236788 0.054525 0.751344 Sr\n",
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"formula_full": "Sr6 Re2 O12",
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"spacegroup": 14
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{
"id": "oqmd-1735089",
"created_at": "2022-09-04T16:03:17.648765Z",
"updated_at": "2022-09-04T16:03:17.648792Z",
"structure_string": "Gd5 W2 Br3 O10\n1.0\n6.070620 -2.793410 0.000000\n6.070620 2.793410 0.000000\n-1.763687 0.000000 9.465321\nBr Gd O W\n3 5 10 2\ndirect\n0.500000 0.500000 0.000000 Br\n0.799192 0.799192 0.129327 Br\n0.200808 0.200808 0.870673 Br\n0.370865 0.370865 0.261492 Gd\n0.690296 0.690296 0.392092 Gd\n0.000000 0.000000 0.500000 Gd\n0.309704 0.309704 0.607908 Gd\n0.629135 0.629135 0.738508 Gd\n0.185610 0.185610 0.170447 O\n0.778213 0.273696 0.286252 O\n0.273696 0.778213 0.286252 O\n0.590412 0.099840 0.437261 O\n0.099840 0.590412 0.437261 O\n0.900160 0.409588 0.562739 O\n0.409588 0.900160 0.562739 O\n0.726304 0.221787 0.713748 O\n0.221787 0.726304 0.713748 O\n0.814390 0.814390 0.829553 O\n0.036044 0.036044 0.149433 W\n0.963956 0.963956 0.850567 W\n",
"nsites": 20,
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"formula_full": "Gd5 W2 Br3 O10",
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{
"id": "oqmd-1759286",
"created_at": "2022-09-04T16:03:17.647255Z",
"updated_at": "2022-09-04T16:03:17.647292Z",
"structure_string": "Li2 Gd4 Ir2 O12\n1.0\n5.304232 0.000000 0.000000\n0.000000 5.712315 0.000000\n-5.202645 0.000000 7.594958\nGd Ir Li O\n4 2 2 12\ndirect\n0.725163 0.920205 0.247616 Gd\n0.274837 0.420205 0.252384 Gd\n0.725163 0.579795 0.747616 Gd\n0.274837 0.079795 0.752384 Gd\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.362259 0.187034 0.054306 O\n0.234403 0.704695 0.058455 O\n0.134081 0.036118 0.248001 O\n0.865919 0.536118 0.251999 O\n0.765597 0.204695 0.441545 O\n0.637741 0.687034 0.445694 O\n0.362259 0.312966 0.554306 O\n0.234403 0.795305 0.558455 O\n0.134081 0.463882 0.748001 O\n0.865919 0.963882 0.751999 O\n0.765597 0.295305 0.941545 O\n0.637741 0.812966 0.945694 O\n",
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{
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"created_at": "2022-09-04T16:03:17.646417Z",
"updated_at": "2022-09-04T16:03:17.646442Z",
"structure_string": "Eu4 Hg2 Ir2 O12\n1.0\n5.565176 0.000000 0.000000\n0.000000 6.003915 0.000000\n-5.393058 0.000000 7.838018\nEu Hg Ir O\n4 2 2 12\ndirect\n0.724953 0.924625 0.249308 Eu\n0.275047 0.424625 0.250692 Eu\n0.724953 0.575375 0.749308 Eu\n0.275047 0.075375 0.750692 Eu\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.341989 0.165716 0.052708 O\n0.222725 0.723728 0.068830 O\n0.106538 0.050733 0.231461 O\n0.893462 0.550733 0.268539 O\n0.777275 0.223728 0.431170 O\n0.658011 0.665716 0.447292 O\n0.341989 0.334284 0.552708 O\n0.222725 0.776272 0.568830 O\n0.106538 0.449267 0.731461 O\n0.893462 0.949267 0.768539 O\n0.777275 0.276272 0.931170 O\n0.658011 0.834284 0.947292 O\n",
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{
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"created_at": "2022-09-04T16:03:17.644663Z",
"updated_at": "2022-09-04T16:03:17.644698Z",
"structure_string": "Sr4 Nd2 Te2 O12\n1.0\n5.917144 0.000000 0.000000\n0.000000 6.056316 0.000000\n-5.884099 0.000000 8.434369\nNd O Sr Te\n2 12 4 2\ndirect\n0.000000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.268308 0.811906 0.051000 O\n0.372085 0.282809 0.055080 O\n0.834418 0.962996 0.233546 O\n0.165582 0.462996 0.266454 O\n0.627915 0.782809 0.444920 O\n0.731692 0.311906 0.449000 O\n0.268308 0.688094 0.551000 O\n0.372085 0.217191 0.555080 O\n0.834418 0.537004 0.733546 O\n0.165582 0.037004 0.766454 O\n0.627915 0.717191 0.944920 O\n0.731692 0.188094 0.949000 O\n0.737718 0.547688 0.249849 Sr\n0.262282 0.047688 0.250151 Sr\n0.737718 0.952312 0.749849 Sr\n0.262282 0.452312 0.750151 Sr\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n",
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{
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"created_at": "2022-09-04T16:03:17.638223Z",
"updated_at": "2022-09-04T16:03:17.638260Z",
"structure_string": "Ca4 Dy2 Sb2 O12\n1.0\n5.602530 0.000000 0.000000\n0.000000 5.795768 0.000000\n-5.567931 0.000000 8.051519\nCa Dy O Sb\n4 2 12 2\ndirect\n0.734726 0.053555 0.249873 Ca\n0.265274 0.553555 0.250127 Ca\n0.734726 0.446445 0.749873 Ca\n0.265274 0.946445 0.750127 Ca\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.268360 0.314323 0.057156 O\n0.384305 0.787413 0.062997 O\n0.847895 0.452628 0.233975 O\n0.152105 0.952628 0.266025 O\n0.615695 0.287413 0.437003 O\n0.731640 0.814323 0.442844 O\n0.268360 0.185677 0.557156 O\n0.384305 0.712587 0.562997 O\n0.847895 0.047372 0.733975 O\n0.152105 0.547372 0.766025 O\n0.615695 0.212587 0.937003 O\n0.731640 0.685677 0.942844 O\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n",
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{
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"created_at": "2022-09-04T16:03:17.637950Z",
"updated_at": "2022-09-04T16:03:17.637982Z",
"structure_string": "La4 Ir4 S8 O4\n1.0\n8.646099 0.000000 0.000000\n0.000000 3.760774 0.000000\n0.000000 0.000000 10.876044\nIr La O S\n4 4 4 8\ndirect\n0.829816 0.250000 0.036032 Ir\n0.329816 0.250000 0.463968 Ir\n0.670184 0.750000 0.536032 Ir\n0.170184 0.750000 0.963968 Ir\n0.459767 0.250000 0.151484 La\n0.959767 0.250000 0.348516 La\n0.040233 0.750000 0.651484 La\n0.540233 0.750000 0.848516 La\n0.396043 0.750000 0.039141 O\n0.896043 0.750000 0.460859 O\n0.103957 0.250000 0.539141 O\n0.603957 0.250000 0.960859 O\n0.091841 0.250000 0.088536 S\n0.759146 0.750000 0.169017 S\n0.259146 0.750000 0.330983 S\n0.591841 0.250000 0.411464 S\n0.408159 0.750000 0.588536 S\n0.740854 0.250000 0.669017 S\n0.240854 0.250000 0.830983 S\n0.908159 0.750000 0.911464 S\n",
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},
{
"id": "oqmd-1759285",
"created_at": "2022-09-04T16:03:17.637329Z",
"updated_at": "2022-09-04T16:03:17.637353Z",
"structure_string": "Na2 Pr4 Sb2 O12\n1.0\n5.588090 0.000000 0.000000\n0.000000 5.962875 0.000000\n-5.425587 0.000000 8.033604\nNa O Pr Sb\n2 12 4 2\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.344170 0.323643 0.052546 O\n0.235286 0.783315 0.066630 O\n0.114994 0.450731 0.233238 O\n0.885006 0.950731 0.266762 O\n0.764714 0.283315 0.433370 O\n0.655830 0.823643 0.447454 O\n0.344170 0.176357 0.552546 O\n0.235286 0.716685 0.566630 O\n0.114994 0.049269 0.733238 O\n0.885006 0.549269 0.766762 O\n0.764714 0.216685 0.933370 O\n0.655830 0.676357 0.947454 O\n0.728019 0.566294 0.248218 Pr\n0.271981 0.066294 0.251782 Pr\n0.728019 0.933706 0.748218 Pr\n0.271981 0.433706 0.751782 Pr\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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},
{
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"created_at": "2022-09-04T16:03:17.636307Z",
"updated_at": "2022-09-04T16:03:17.636339Z",
"structure_string": "Eu4 Mg2 Sn2 O12\n1.0\n5.497467 0.000000 0.000000\n0.000000 5.654001 0.000000\n-5.436477 0.000000 7.840138\nEu Mg O Sn\n4 2 12 2\ndirect\n0.234376 0.949135 0.249321 Eu\n0.765624 0.449135 0.250679 Eu\n0.234376 0.550865 0.749321 Eu\n0.765624 0.050865 0.750679 Eu\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.841450 0.210110 0.043525 O\n0.750744 0.707947 0.045158 O\n0.334068 0.525637 0.247860 O\n0.665932 0.025637 0.252140 O\n0.249256 0.207947 0.454842 O\n0.158550 0.710110 0.456475 O\n0.841450 0.289890 0.543525 O\n0.750744 0.792053 0.545158 O\n0.334068 0.974363 0.747860 O\n0.665932 0.474363 0.752140 O\n0.249256 0.292053 0.954842 O\n0.158550 0.789890 0.956475 O\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n",
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"formula_reduced": "Eu2MgSnO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -2.51416567012904,
"spacegroup": 14
}
]
}