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"structure_string": "Ba4 Sm2 Ru2 O12\n1.0\n6.003608 0.000000 0.000000\n0.000000 5.976352 0.000000\n-5.987883 0.000000 8.454094\nBa O Ru Sm\n4 12 2 2\ndirect\n0.248409 0.000414 0.249413 Ba\n0.751591 0.500414 0.250587 Ba\n0.248409 0.499586 0.749413 Ba\n0.751591 0.999586 0.750587 Ba\n0.787315 0.734186 0.017831 O\n0.785041 0.268229 0.017906 O\n0.266807 0.500043 0.232060 O\n0.733193 0.000000 0.267940 O\n0.214959 0.768229 0.482094 O\n0.212685 0.234186 0.482169 O\n0.787315 0.765814 0.517831 O\n0.785041 0.231771 0.517906 O\n0.266807 0.000000 0.732060 O\n0.733193 0.499957 0.767940 O\n0.214959 0.731771 0.982094 O\n0.212685 0.265814 0.982169 O\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n",
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{
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"structure_string": "Na4 Os4 O12\n1.0\n3.784234 -3.799068 0.000000\n3.784234 3.799068 0.000000\n0.000000 0.000000 7.621912\nNa O Os\n4 12 4\ndirect\n0.516829 0.483171 0.250000 Na\n0.008181 0.991819 0.250000 Na\n0.991819 0.008181 0.750000 Na\n0.483171 0.516829 0.750000 Na\n0.203914 0.203914 0.000000 O\n0.796086 0.796086 0.000000 O\n0.300245 0.699755 0.046471 O\n0.539393 0.044546 0.250000 O\n0.955454 0.460607 0.250000 O\n0.300245 0.699755 0.453529 O\n0.203914 0.203914 0.500000 O\n0.796086 0.796086 0.500000 O\n0.699755 0.300245 0.546471 O\n0.044546 0.539393 0.750000 O\n0.460607 0.955454 0.750000 O\n0.699755 0.300245 0.953529 O\n0.500000 0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n",
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{
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"updated_at": "2022-09-04T16:03:14.783038Z",
"structure_string": "Na2 La2 Ni2 W2 O12\n1.0\n5.473552 0.000000 0.000000\n0.000000 5.514703 0.000000\n-0.032491 0.000000 7.861699\nLa Na Ni O W\n2 2 2 12 2\ndirect\n0.255720 0.277364 0.499804 La\n0.744280 0.777364 0.500196 La\n0.755676 0.716361 0.000814 Na\n0.244324 0.216361 0.999186 Na\n0.749226 0.245948 0.246557 Ni\n0.250774 0.745948 0.753443 Ni\n0.326651 0.765394 0.002855 O\n0.053057 0.459133 0.216599 O\n0.968905 0.945842 0.219586 O\n0.523001 0.533441 0.294683 O\n0.460606 0.014372 0.295550 O\n0.177765 0.731434 0.492962 O\n0.822235 0.231434 0.507038 O\n0.539394 0.514372 0.704450 O\n0.476999 0.033441 0.705317 O\n0.031095 0.445842 0.780414 O\n0.946943 0.959133 0.783401 O\n0.673349 0.265394 0.997145 O\n0.245844 0.744109 0.227431 W\n0.754156 0.244109 0.772569 W\n",
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{
"id": "oqmd-1759220",
"created_at": "2022-09-04T16:03:14.782815Z",
"updated_at": "2022-09-04T16:03:14.782832Z",
"structure_string": "Mn4 Cr2 Sb2 O12\n1.0\n5.239708 0.000000 0.000000\n0.000000 5.410469 0.000000\n-5.211486 0.000000 7.611605\nCr Mn O Sb\n2 4 12 2\ndirect\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.733911 0.446575 0.248301 Mn\n0.266089 0.946575 0.251699 Mn\n0.733911 0.053425 0.748301 Mn\n0.266089 0.553425 0.751699 Mn\n0.374178 0.691095 0.062285 O\n0.254240 0.193175 0.067476 O\n0.126118 0.556064 0.248646 O\n0.873882 0.056064 0.251354 O\n0.745760 0.693175 0.432524 O\n0.625822 0.191095 0.437715 O\n0.374178 0.808905 0.562285 O\n0.254240 0.306825 0.567476 O\n0.126118 0.943936 0.748646 O\n0.873882 0.443936 0.751354 O\n0.745760 0.806825 0.932524 O\n0.625822 0.308905 0.937715 O\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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{
"id": "oqmd-1759057",
"created_at": "2022-09-04T16:03:14.779588Z",
"updated_at": "2022-09-04T16:03:14.779607Z",
"structure_string": "Tb2 Sm4 Mn2 O12\n1.0\n5.544418 0.000000 0.000000\n0.000000 5.930643 0.000000\n-5.507328 0.000000 7.963262\nMn O Sm Tb\n2 12 4 2\ndirect\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.261873 0.822560 0.053851 O\n0.394692 0.305616 0.076797 O\n0.857389 0.946779 0.231312 O\n0.142611 0.446779 0.268688 O\n0.605308 0.805616 0.423203 O\n0.738127 0.322560 0.446149 O\n0.261873 0.677440 0.553851 O\n0.394692 0.194384 0.576797 O\n0.857389 0.553221 0.731312 O\n0.142611 0.053221 0.768688 O\n0.605308 0.694384 0.923203 O\n0.738127 0.177440 0.946149 O\n0.267025 0.067114 0.246423 Sm\n0.732975 0.567114 0.253577 Sm\n0.267025 0.432886 0.746423 Sm\n0.732975 0.932886 0.753577 Sm\n0.000000 0.500000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n",
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{
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"created_at": "2022-09-04T16:03:14.773878Z",
"updated_at": "2022-09-04T16:03:14.773898Z",
"structure_string": "V2 Ni2 Bi4 O12\n1.0\n5.387655 0.000000 0.000000\n0.000000 5.624253 0.000000\n-5.331177 0.000000 7.781070\nBi Ni O V\n4 2 12 2\ndirect\n0.736514 0.444458 0.241616 Bi\n0.263486 0.944458 0.258384 Bi\n0.736514 0.055542 0.741616 Bi\n0.263486 0.555542 0.758384 Bi\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.345846 0.689381 0.036299 O\n0.227246 0.217784 0.044605 O\n0.154902 0.528627 0.247281 O\n0.845098 0.028627 0.252719 O\n0.772754 0.717784 0.455395 O\n0.654154 0.189381 0.463701 O\n0.345846 0.810619 0.536299 O\n0.227246 0.282216 0.544605 O\n0.154902 0.971373 0.747281 O\n0.845098 0.471373 0.752719 O\n0.772754 0.782216 0.955395 O\n0.654154 0.310619 0.963701 O\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n",
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{
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"created_at": "2022-09-04T16:03:14.772523Z",
"updated_at": "2022-09-04T16:03:14.772556Z",
"structure_string": "Na4 Te4 O12\n1.0\n5.516314 0.000000 0.000000\n0.000000 5.614176 0.000000\n-5.512672 0.000000 7.872562\nNa O Te\n4 12 4\ndirect\n0.259408 0.045350 0.249694 Na\n0.740592 0.545350 0.250306 Na\n0.259408 0.454650 0.749694 Na\n0.740592 0.954650 0.750306 Na\n0.260758 0.810070 0.050364 O\n0.370793 0.288942 0.053340 O\n0.837599 0.967096 0.237517 O\n0.162401 0.467096 0.262483 O\n0.629207 0.788942 0.446660 O\n0.739242 0.310070 0.449636 O\n0.260758 0.689930 0.550364 O\n0.370793 0.211058 0.553340 O\n0.837599 0.532904 0.737517 O\n0.162401 0.032904 0.762483 O\n0.629207 0.711058 0.946660 O\n0.739242 0.189930 0.949636 O\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.500000 Te\n",
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"created_at": "2022-09-04T16:03:14.770117Z",
"updated_at": "2022-09-04T16:03:14.770144Z",
"structure_string": "Na2 La2 Zn2 W2 O12\n1.0\n5.513271 0.000000 0.000000\n0.000000 5.553301 0.000000\n-0.036637 0.000000 7.926190\nLa Na O W Zn\n2 2 12 2 2\ndirect\n0.742749 0.782621 0.499981 La\n0.257251 0.282621 0.500019 La\n0.755549 0.717449 0.000521 Na\n0.244451 0.217449 0.999479 Na\n0.334677 0.771138 0.009280 O\n0.064324 0.454528 0.213532 O\n0.965445 0.937192 0.218137 O\n0.523313 0.535788 0.300000 O\n0.456370 0.011834 0.300873 O\n0.171114 0.726653 0.490982 O\n0.828886 0.226653 0.509018 O\n0.543630 0.511834 0.699127 O\n0.476687 0.035788 0.700000 O\n0.034555 0.437192 0.781863 O\n0.935676 0.954528 0.786468 O\n0.665323 0.271138 0.990720 O\n0.245334 0.744845 0.230913 W\n0.754666 0.244845 0.769087 W\n0.749077 0.251350 0.240420 Zn\n0.250923 0.751350 0.759580 Zn\n",
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{
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"updated_at": "2022-09-04T16:03:14.769234Z",
"structure_string": "Sr4 Eu2 Sb2 O12\n1.0\n5.844584 0.000000 0.000000\n0.000000 5.992583 0.000000\n-5.819734 0.000000 8.308211\nEu O Sb Sr\n2 12 2 4\ndirect\n0.000000 0.500000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.822995 0.185359 0.047804 O\n0.734905 0.726136 0.057062 O\n0.626670 0.038799 0.227946 O\n0.373330 0.538799 0.272054 O\n0.265095 0.226136 0.442938 O\n0.177005 0.685359 0.452196 O\n0.822995 0.314641 0.547804 O\n0.734905 0.773864 0.557062 O\n0.626670 0.461201 0.727946 O\n0.373330 0.961201 0.772054 O\n0.265095 0.273864 0.942938 O\n0.177005 0.814641 0.952196 O\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.233687 0.948898 0.248488 Sr\n0.766313 0.448898 0.251512 Sr\n0.233687 0.551102 0.748488 Sr\n0.766313 0.051102 0.751512 Sr\n",
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{
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"created_at": "2022-09-04T16:03:14.766978Z",
"updated_at": "2022-09-04T16:03:14.766999Z",
"structure_string": "Mg4 Fe2 Sb2 O12\n1.0\n5.150396 0.000000 0.000000\n0.000000 5.309313 0.000000\n-5.085154 0.000000 7.582520\nFe Mg O Sb\n2 4 12 2\ndirect\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.235686 0.051482 0.243231 Mg\n0.764314 0.551482 0.256769 Mg\n0.235686 0.448518 0.743231 Mg\n0.764314 0.948518 0.756769 Mg\n0.885901 0.816873 0.063316 O\n0.754401 0.314345 0.076357 O\n0.612003 0.924040 0.245033 O\n0.387997 0.424040 0.254967 O\n0.245599 0.814345 0.423643 O\n0.114099 0.316873 0.436684 O\n0.885901 0.683127 0.563316 O\n0.754401 0.185655 0.576357 O\n0.612003 0.575960 0.745033 O\n0.387997 0.075960 0.754967 O\n0.245599 0.685655 0.923643 O\n0.114099 0.183127 0.936684 O\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
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{
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"created_at": "2022-09-04T16:03:14.764034Z",
"updated_at": "2022-09-04T16:03:14.764070Z",
"structure_string": "Na4 Ir4 O12\n1.0\n7.550826 0.000000 0.000000\n0.000000 5.267539 0.000000\n0.000000 0.000000 5.388771\nIr Na O\n4 4 12\ndirect\n0.250026 0.750060 0.252881 Ir\n0.749974 0.750060 0.252881 Ir\n0.250026 0.249940 0.752881 Ir\n0.749974 0.249940 0.752881 Ir\n0.000000 0.235053 0.195652 Na\n0.500000 0.265289 0.310359 Na\n0.000000 0.764947 0.695652 Na\n0.500000 0.734711 0.810359 Na\n0.303095 0.441555 0.058146 O\n0.696905 0.441555 0.058146 O\n0.500000 0.856206 0.230462 O\n0.000000 0.644010 0.275413 O\n0.196900 0.058412 0.447617 O\n0.803100 0.058412 0.447617 O\n0.303095 0.558445 0.558146 O\n0.696905 0.558445 0.558146 O\n0.500000 0.143794 0.730462 O\n0.000000 0.355990 0.775413 O\n0.196900 0.941588 0.947617 O\n0.803100 0.941588 0.947617 O\n",
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{
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"structure_string": "Na2 La2 Mg2 W2 O12\n1.0\n5.498129 0.000000 0.000000\n0.000000 5.527531 0.000000\n-0.036855 0.000000 7.898815\nLa Mg Na O W\n2 2 2 12 2\ndirect\n0.254672 0.275346 0.499643 La\n0.745328 0.775346 0.500357 La\n0.748628 0.246985 0.244585 Mg\n0.251372 0.746985 0.755415 Mg\n0.755453 0.719520 0.000477 Na\n0.244547 0.219520 0.999523 Na\n0.325645 0.763715 0.006954 O\n0.052628 0.460473 0.219647 O\n0.971541 0.947329 0.222354 O\n0.521224 0.531852 0.296923 O\n0.462496 0.012443 0.297214 O\n0.177066 0.731439 0.494090 O\n0.822934 0.231439 0.505910 O\n0.537504 0.512443 0.702786 O\n0.478776 0.031852 0.703077 O\n0.028459 0.447329 0.777646 O\n0.947372 0.960473 0.780353 O\n0.674355 0.263715 0.993046 O\n0.245922 0.744294 0.230987 W\n0.754078 0.244294 0.769013 W\n",
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"formula_anonymous": "ABCDE6",
"formation_energy": -2.936339280529084,
"spacegroup": 4
}
]
}