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{
"id": "oqmd-1758921",
"created_at": "2022-09-04T16:03:14.873029Z",
"updated_at": "2022-09-04T16:03:14.873039Z",
"structure_string": "Sr4 Lu2 Nb2 O12\n1.0\n5.861841 0.000000 0.000000\n0.000000 8.253805 0.000000\n0.000000 0.000000 5.833038\nLu Nb O Sr\n2 2 12 4\ndirect\n0.500000 0.500000 0.003753 Lu\n0.000000 0.000000 0.503753 Lu\n0.500000 0.000000 0.003427 Nb\n0.000000 0.500000 0.503427 Nb\n0.267684 0.003986 0.253708 O\n0.732316 0.996014 0.253708 O\n0.250699 0.491176 0.271468 O\n0.749301 0.508824 0.271468 O\n0.987572 0.258744 0.482747 O\n0.012428 0.741256 0.482747 O\n0.767684 0.496014 0.753708 O\n0.232316 0.503986 0.753708 O\n0.750699 0.008824 0.771468 O\n0.249301 0.991176 0.771468 O\n0.487572 0.241256 0.982747 O\n0.512428 0.758744 0.982747 O\n0.014147 0.249753 0.004586 Sr\n0.985853 0.750247 0.004586 Sr\n0.514147 0.250247 0.504586 Sr\n0.485853 0.749753 0.504586 Sr\n",
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{
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"updated_at": "2022-09-04T16:03:14.869833Z",
"structure_string": "Ba4 Nd2 Bi2 O12\n1.0\n6.221268 0.000000 0.000000\n0.000000 6.158004 0.000000\n-6.161823 0.000000 8.691521\nBa Bi Nd O\n4 2 2 12\ndirect\n0.242457 0.001281 0.248840 Ba\n0.757543 0.501281 0.251160 Ba\n0.242457 0.498719 0.748840 Ba\n0.757543 0.998719 0.751160 Ba\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.805527 0.742937 0.040409 O\n0.801537 0.261313 0.040631 O\n0.312468 0.499203 0.237888 O\n0.687532 0.999203 0.262112 O\n0.198463 0.761313 0.459369 O\n0.194473 0.242937 0.459591 O\n0.805527 0.757063 0.540409 O\n0.801537 0.238687 0.540631 O\n0.312468 0.000797 0.737888 O\n0.687532 0.500797 0.762112 O\n0.198463 0.738687 0.959369 O\n0.194473 0.257063 0.959591 O\n",
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"formula_full": "Ba4 Nd2 Bi2 O12",
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{
"id": "oqmd-1759132",
"created_at": "2022-09-04T16:03:14.869685Z",
"updated_at": "2022-09-04T16:03:14.869725Z",
"structure_string": "Na4 Li2 Ti2 H12\n1.0\n5.235795 0.000000 0.000000\n0.000051 5.247438 0.000000\n0.018524 0.000593 7.416545\nH Li Na Ti\n12 2 4 2\ndirect\n0.275847 0.786113 0.030424 H\n0.212410 0.276674 0.031343 H\n0.940292 0.987853 0.244843 H\n0.559814 0.487844 0.254729 H\n0.287268 0.777133 0.468594 H\n0.223683 0.285785 0.469533 H\n0.776317 0.714215 0.530467 H\n0.712732 0.222867 0.531406 H\n0.440186 0.512156 0.745271 H\n0.059708 0.012147 0.755157 H\n0.787590 0.723326 0.968657 H\n0.724153 0.213887 0.969576 H\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.497123 0.017141 0.249484 Na\n0.002854 0.517212 0.250054 Na\n0.997146 0.482788 0.749946 Na\n0.502877 0.982859 0.750516 Na\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n",
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"formula_full": "Na4 Li2 Ti2 H12",
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"spacegroup": 14
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{
"id": "oqmd-1759069",
"created_at": "2022-09-04T16:03:14.869163Z",
"updated_at": "2022-09-04T16:03:14.869185Z",
"structure_string": "Ba4 Gd2 Ru2 O12\n1.0\n5.970914 0.000000 0.000000\n0.000000 5.944295 0.000000\n-5.956034 0.000000 8.407998\nBa Gd O Ru\n4 2 12 2\ndirect\n0.248436 0.000415 0.249426 Ba\n0.751564 0.500415 0.250574 Ba\n0.248436 0.499585 0.749426 Ba\n0.751564 0.999585 0.750574 Ba\n0.500000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Gd\n0.785472 0.735815 0.017668 O\n0.783220 0.266579 0.017742 O\n0.268149 0.500044 0.233714 O\n0.731851 0.000000 0.266286 O\n0.216780 0.766579 0.482258 O\n0.214528 0.235815 0.482332 O\n0.785472 0.764185 0.517668 O\n0.783220 0.233421 0.517742 O\n0.268149 0.000000 0.733714 O\n0.731851 0.499956 0.766286 O\n0.216780 0.733421 0.982258 O\n0.214528 0.264185 0.982332 O\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
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"elements": [
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"formula_full": "Ba4 Gd2 Ru2 O12",
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"spacegroup": 12
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{
"id": "oqmd-1759199",
"created_at": "2022-09-04T16:03:14.865452Z",
"updated_at": "2022-09-04T16:03:14.865480Z",
"structure_string": "Tb4 Ni2 Hg2 O12\n1.0\n5.363335 0.000000 0.000000\n0.000000 5.911810 0.000000\n-5.335727 0.000000 7.625571\nHg Ni O Tb\n2 2 12 4\ndirect\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.348712 0.159920 0.059289 O\n0.234809 0.701082 0.069613 O\n0.093870 0.056095 0.232214 O\n0.906130 0.556095 0.267786 O\n0.765191 0.201082 0.430387 O\n0.651288 0.659920 0.440711 O\n0.348712 0.340080 0.559289 O\n0.234809 0.798918 0.569613 O\n0.093870 0.443905 0.732214 O\n0.906130 0.943905 0.767786 O\n0.765191 0.298918 0.930387 O\n0.651288 0.840080 0.940711 O\n0.277305 0.415053 0.249843 Tb\n0.722695 0.915053 0.250157 Tb\n0.277305 0.084947 0.749843 Tb\n0.722695 0.584947 0.750157 Tb\n",
"nsites": 20,
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"formula_full": "Tb4 Ni2 Hg2 O12",
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},
{
"id": "oqmd-1759249",
"created_at": "2022-09-04T16:03:14.863960Z",
"updated_at": "2022-09-04T16:03:14.863983Z",
"structure_string": "Yb2 Sb2 Pb4 O12\n1.0\n5.868627 0.000000 0.000000\n0.000000 5.819535 0.000000\n-5.688563 0.000000 8.215039\nO Pb Sb Yb\n12 4 2 2\ndirect\n0.336273 0.255150 0.061723 O\n0.331310 0.735298 0.065781 O\n0.835485 0.496721 0.230361 O\n0.164515 0.996721 0.269639 O\n0.668690 0.235298 0.434219 O\n0.663727 0.755150 0.438277 O\n0.336273 0.244850 0.561723 O\n0.331310 0.764702 0.565781 O\n0.835485 0.003279 0.730361 O\n0.164515 0.503279 0.769639 O\n0.668690 0.264702 0.934219 O\n0.663727 0.744850 0.938277 O\n0.724569 0.999739 0.247384 Pb\n0.275431 0.499739 0.252616 Pb\n0.724569 0.500261 0.747384 Pb\n0.275431 0.000261 0.752616 Pb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n",
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{
"id": "oqmd-1759360",
"created_at": "2022-09-04T16:03:14.861265Z",
"updated_at": "2022-09-04T16:03:14.861289Z",
"structure_string": "Sb12 W4\n1.0\n-4.848310 4.848310 4.848310\n4.848310 -4.848310 4.848310\n4.848310 4.848310 -4.848310\nSb W\n12 4\ndirect\n0.329252 0.483971 0.154720 Sb\n0.670748 0.825468 0.154720 Sb\n0.845280 0.329252 0.174532 Sb\n0.483971 0.154720 0.329252 Sb\n0.174532 0.845280 0.329252 Sb\n0.154720 0.329252 0.483971 Sb\n0.845280 0.670748 0.516029 Sb\n0.825468 0.154720 0.670748 Sb\n0.516029 0.845280 0.670748 Sb\n0.154720 0.670748 0.825468 Sb\n0.329252 0.174532 0.845280 Sb\n0.670748 0.516029 0.845280 Sb\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.500000 W\n",
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{
"id": "oqmd-1759248",
"created_at": "2022-09-04T16:03:14.856468Z",
"updated_at": "2022-09-04T16:03:14.856495Z",
"structure_string": "Tm2 Ru2 Pb4 O12\n1.0\n5.855940 0.000000 0.000000\n0.000000 5.766356 0.000000\n-5.694114 0.000000 8.113308\nO Pb Ru Tm\n12 4 2 2\ndirect\n0.315538 0.243052 0.046643 O\n0.311187 0.763497 0.048542 O\n0.812128 0.002345 0.233842 O\n0.187872 0.502345 0.266158 O\n0.688813 0.263497 0.451458 O\n0.684462 0.743052 0.453357 O\n0.315538 0.256948 0.546643 O\n0.311187 0.736503 0.548542 O\n0.812128 0.497655 0.733842 O\n0.187872 0.997655 0.766158 O\n0.688813 0.236503 0.951458 O\n0.684462 0.756948 0.953357 O\n0.729893 0.498344 0.247147 Pb\n0.270107 0.998344 0.252853 Pb\n0.729893 0.001656 0.747147 Pb\n0.270107 0.501656 0.752853 Pb\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n",
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},
{
"id": "oqmd-1758907",
"created_at": "2022-09-04T16:03:14.853592Z",
"updated_at": "2022-09-04T16:03:14.853619Z",
"structure_string": "Na4 Br4 O12\n1.0\n7.577781 0.000000 0.000000\n0.000000 5.615931 0.000000\n0.000000 0.000000 5.827075\nBr Na O\n4 4 12\ndirect\n0.252372 0.222745 0.205235 Br\n0.747628 0.222745 0.205235 Br\n0.252372 0.777255 0.705235 Br\n0.747628 0.777255 0.705235 Br\n0.500000 0.734222 0.181784 Na\n0.000000 0.720456 0.286224 Na\n0.500000 0.265778 0.681784 Na\n0.000000 0.279544 0.786224 Na\n0.208894 0.950012 0.101809 O\n0.791106 0.950012 0.101809 O\n0.000000 0.331023 0.197857 O\n0.500000 0.146174 0.293727 O\n0.302837 0.605364 0.477750 O\n0.697163 0.605364 0.477750 O\n0.208894 0.049988 0.601809 O\n0.791106 0.049988 0.601809 O\n0.000000 0.668977 0.697857 O\n0.500000 0.853826 0.793727 O\n0.302837 0.394636 0.977750 O\n0.697163 0.394636 0.977750 O\n",
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"formula_full": "Na4 Br4 O12",
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},
{
"id": "oqmd-1759130",
"created_at": "2022-09-04T16:03:14.851811Z",
"updated_at": "2022-09-04T16:03:14.851834Z",
"structure_string": "Na4 Li2 Mn2 H12\n1.0\n5.007866 0.000000 0.000000\n-0.005486 5.011740 0.000000\n-0.001773 -0.003280 7.093900\nH Li Mn Na\n12 2 2 4\ndirect\n0.770547 0.233604 0.003052 H\n0.764332 0.771494 0.006326 H\n0.003633 0.998021 0.232034 H\n0.493260 0.499637 0.268004 H\n0.740647 0.275534 0.496411 H\n0.729292 0.735795 0.496852 H\n0.270708 0.264205 0.503148 H\n0.259353 0.724466 0.503589 H\n0.506740 0.500363 0.731996 H\n0.996367 0.001979 0.767966 H\n0.235668 0.228506 0.993674 H\n0.229453 0.766396 0.996948 H\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.501595 0.000407 0.247970 Na\n0.999535 0.502020 0.249813 Na\n0.000465 0.497980 0.750187 Na\n0.498405 0.999593 0.752030 Na\n",
"nsites": 20,
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],
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"volume": 178.04357011624825,
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"formula_full": "Na4 Li2 Mn2 H12",
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"spacegroup": 225
},
{
"id": "oqmd-1759186",
"created_at": "2022-09-04T16:03:14.844582Z",
"updated_at": "2022-09-04T16:03:14.844607Z",
"structure_string": "Sm4 Cr2 Ni2 O12\n1.0\n5.353272 0.000000 0.000000\n0.000000 5.552014 0.000000\n-5.273492 0.000000 7.572447\nCr Ni O Sm\n2 2 12 4\ndirect\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.739614 0.786649 0.048235 O\n0.844717 0.300182 0.049695 O\n0.649857 0.476080 0.242664 O\n0.350143 0.976080 0.257336 O\n0.155283 0.800182 0.450305 O\n0.260386 0.286649 0.451765 O\n0.739614 0.713351 0.548235 O\n0.844717 0.199818 0.549695 O\n0.649857 0.023920 0.742664 O\n0.350143 0.523920 0.757336 O\n0.155283 0.699818 0.950305 O\n0.260386 0.213351 0.951765 O\n0.231350 0.560284 0.248233 Sm\n0.768650 0.060284 0.251767 Sm\n0.231350 0.939716 0.748233 Sm\n0.768650 0.439716 0.751767 Sm\n",
"nsites": 20,
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"spacegroup": 14
},
{
"id": "oqmd-1758904",
"created_at": "2022-09-04T16:03:14.838216Z",
"updated_at": "2022-09-04T16:03:14.838236Z",
"structure_string": "Na2 Tb2 Yb2 W2 O12\n1.0\n5.439687 0.000000 0.000000\n0.000000 5.653498 0.000000\n-0.022479 0.000000 8.054654\nNa O Tb W Yb\n2 12 2 2 2\ndirect\n0.751356 0.688091 0.000456 Na\n0.248644 0.188091 0.999544 Na\n0.344558 0.780058 0.033132 O\n0.107733 0.418453 0.211164 O\n0.933809 0.875819 0.225157 O\n0.529353 0.540575 0.326904 O\n0.425525 0.000587 0.328194 O\n0.130290 0.681208 0.493529 O\n0.869710 0.181208 0.506471 O\n0.574475 0.500587 0.671806 O\n0.470647 0.040575 0.673096 O\n0.066191 0.375819 0.774843 O\n0.892267 0.918453 0.788836 O\n0.655442 0.280058 0.966868 O\n0.733797 0.792918 0.498826 Tb\n0.266203 0.292918 0.501174 Tb\n0.238839 0.725443 0.246993 W\n0.761161 0.225443 0.753007 W\n0.747672 0.232446 0.236483 Yb\n0.252328 0.732446 0.763517 Yb\n",
"nsites": 20,
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"spacegroup": 4
}
]
}