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{
"id": "mp-758162",
"created_at": "2022-09-04T14:44:58.613007Z",
"structure_string": "Sr16 Ru15 O48\n1.0\n7.894973 0.000000 0.000000\n-0.003610 7.899519 0.000000\n-0.010721 -0.014541 16.142894\nSr Ru O\n16 15 48\ndirect\n0.249239 0.748306 0.126303 Sr\n0.270852 0.762613 0.615812 Sr\n0.729148 0.237387 0.384188 Sr\n0.750761 0.251694 0.873697 Sr\n0.264377 0.228095 0.383731 Sr\n0.249014 0.249869 0.874033 Sr\n0.750018 0.750817 0.874132 Sr\n0.737157 0.767903 0.383105 Sr\n0.262843 0.232097 0.616895 Sr\n0.735623 0.771905 0.616269 Sr\n0.249982 0.249183 0.125868 Sr\n0.750986 0.750131 0.125967 Sr\n0.750417 0.249414 0.125617 Sr\n0.724920 0.235938 0.616653 Sr\n0.275080 0.764062 0.383347 Sr\n0.249583 0.750586 0.874383 Sr\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.999987 0.999969 0.748356 Ru\n0.000013 0.000031 0.251644 Ru\n0.500000 0.000000 0.000000 Ru\n0.499653 0.000086 0.750232 Ru\n0.000071 0.500128 0.746166 Ru\n0.000000 0.500000 0.500000 Ru\n0.999929 0.499872 0.253834 Ru\n0.500347 0.999914 0.249768 Ru\n0.000000 0.500000 0.000000 Ru\n0.499936 0.499495 0.250742 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500064 0.500505 0.749258 Ru\n0.962423 0.748230 0.499756 O\n0.952813 0.750413 0.750214 O\n0.952950 0.750796 0.249914 O\n0.954348 0.749768 0.999750 O\n0.000064 0.999321 0.125271 O\n0.004210 0.997331 0.624308 O\n0.999936 0.000679 0.874729 O\n0.995790 0.002669 0.375692 O\n0.250296 0.954591 0.249359 O\n0.249935 0.953512 0.000088 O\n0.250736 0.954704 0.752239 O\n0.750202 0.452356 0.746052 O\n0.239763 0.976275 0.498503 O\n0.751807 0.459605 0.504786 O\n0.749361 0.453550 0.246830 O\n0.749984 0.454184 0.002516 O\n0.047050 0.249204 0.750086 O\n0.037577 0.251770 0.500244 O\n0.047187 0.249587 0.249786 O\n0.045652 0.250232 0.000250 O\n0.500876 0.998215 0.877943 O\n0.992786 0.498369 0.874547 O\n0.501979 0.998780 0.366303 O\n0.983570 0.499146 0.376237 O\n0.499124 0.001785 0.122057 O\n0.016430 0.500854 0.623763 O\n0.498021 0.001220 0.633697 O\n0.007214 0.501631 0.125453 O\n0.454256 0.249788 0.249862 O\n0.453602 0.250189 0.998963 O\n0.474104 0.259739 0.499014 O\n0.455475 0.250018 0.752789 O\n0.749264 0.045296 0.247761 O\n0.750065 0.046488 0.999912 O\n0.749704 0.045409 0.750641 O\n0.760237 0.023725 0.501497 O\n0.248193 0.540395 0.495214 O\n0.250639 0.546450 0.753170 O\n0.250016 0.545816 0.997484 O\n0.249798 0.547644 0.253948 O\n0.490470 0.495649 0.625257 O\n0.492471 0.497078 0.124800 O\n0.507529 0.502922 0.875200 O\n0.509530 0.504351 0.374743 O\n0.544525 0.749982 0.247211 O\n0.545744 0.750212 0.750138 O\n0.546398 0.749811 0.001037 O\n0.525896 0.740261 0.500986 O\n",
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"elements": [
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"volume": 1006.775624598107,
"volume_molar": 7.674613322869265,
"formula_full": "Sr16 Ru15 O48",
"formula_reduced": "Sr16(Ru5O16)3",
"formula_anonymous": "A15B16C48",
"energy": -575.95612741,
"energy_per_atom": -7.290583891265823,
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"updated_at": "2021-11-28T01:36:48.017000Z",
"spacegroup": 2
},
{
"id": "mp-530846",
"created_at": "2022-09-04T14:43:24.689778Z",
"structure_string": "Li15 Nb16 O48\n1.0\n9.896674 -5.229781 0.000000\n9.896674 5.229781 0.000000\n7.133059 0.000000 8.626369\nLi Nb O\n15 16 48\ndirect\n0.140435 0.140708 0.639833 Li\n0.639833 0.140435 0.140708 Li\n0.140708 0.639833 0.140435 Li\n0.390495 0.390495 0.390495 Li\n0.641422 0.139288 0.641000 Li\n0.641000 0.641422 0.139288 Li\n0.139288 0.641000 0.641422 Li\n0.889232 0.391001 0.392334 Li\n0.391001 0.392334 0.889232 Li\n0.392334 0.889232 0.391001 Li\n0.640294 0.640294 0.640294 Li\n0.890885 0.390766 0.889954 Li\n0.889954 0.890885 0.390766 Li\n0.390766 0.889954 0.890885 Li\n0.889564 0.889564 0.889564 Li\n0.999986 0.999986 0.999986 Nb\n0.003186 0.001906 0.494432 Nb\n0.494432 0.003186 0.001906 Nb\n0.001906 0.494432 0.003186 Nb\n0.249147 0.249147 0.249147 Nb\n0.000260 0.499025 0.499252 Nb\n0.499025 0.499252 0.000260 Nb\n0.249002 0.249601 0.750114 Nb\n0.750114 0.249002 0.249601 Nb\n0.249601 0.750114 0.249002 Nb\n0.499450 0.499450 0.499450 Nb\n0.749970 0.248126 0.749962 Nb\n0.248126 0.749962 0.749970 Nb\n0.749962 0.749970 0.248126 Nb\n0.499252 0.000260 0.499025 Nb\n0.749734 0.749734 0.749734 Nb\n0.182782 0.053133 0.365701 O\n0.365701 0.182782 0.053133 O\n0.053133 0.365701 0.182782 O\n0.429034 0.110209 0.305275 O\n0.110209 0.305275 0.429034 O\n0.678592 0.054647 0.358580 O\n0.179489 0.054738 0.859535 O\n0.305275 0.429034 0.110209 O\n0.359760 0.179463 0.554130 O\n0.859535 0.179489 0.054738 O\n0.054647 0.358580 0.678592 O\n0.554130 0.359760 0.179463 O\n0.428306 0.110374 0.805817 O\n0.919395 0.105388 0.316425 O\n0.179463 0.554130 0.359760 O\n0.608543 0.305654 0.428740 O\n0.105388 0.316425 0.919395 O\n0.358580 0.678592 0.054647 O\n0.678139 0.054720 0.859419 O\n0.805817 0.428306 0.110374 O\n0.305654 0.428740 0.608543 O\n0.860542 0.178992 0.554336 O\n0.054738 0.859535 0.179489 O\n0.428740 0.608543 0.305654 O\n0.554647 0.359706 0.678921 O\n0.929341 0.109356 0.805156 O\n0.110374 0.805817 0.428306 O\n0.178992 0.554336 0.860542 O\n0.678921 0.554647 0.359706 O\n0.316425 0.919395 0.105388 O\n0.610370 0.304845 0.928584 O\n0.359706 0.678921 0.554647 O\n0.859419 0.678139 0.054720 O\n0.804751 0.428161 0.609562 O\n0.054720 0.859419 0.678139 O\n0.554336 0.860542 0.178992 O\n0.428161 0.609562 0.804751 O\n0.928584 0.610370 0.304845 O\n0.609562 0.804751 0.428161 O\n0.109356 0.805156 0.929341 O\n0.678916 0.554216 0.859658 O\n0.805156 0.929341 0.109356 O\n0.304845 0.928584 0.610370 O\n0.859658 0.678916 0.554216 O\n0.554216 0.859658 0.678916 O\n0.928739 0.611874 0.804022 O\n0.611874 0.804022 0.928739 O\n0.804022 0.928739 0.611874 O\n",
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"density": 4.386018294719443,
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"volume": 892.9575112990779,
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"formula_full": "Li15 Nb16 O48",
"formula_reduced": "Li15Nb16O48",
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},
{
"id": "mp-686128",
"created_at": "2022-09-04T14:45:13.400265Z",
"structure_string": "Bi30 Ru32 O110\n1.0\n6.337399 0.011499 3.678204\n2.123407 6.006669 3.678031\n0.099143 0.068155 58.679951\nBi Ru O\n30 32 110\ndirect\n0.461375 0.501092 0.004562 Bi\n0.474390 0.511214 0.064333 Bi\n0.474451 0.999705 0.064334 Bi\n0.501069 0.501736 0.124420 Bi\n0.507564 0.505327 0.185911 Bi\n0.507579 -0.000156 0.185906 Bi\n0.523150 0.500029 0.247090 Bi\n0.501998 0.500802 0.311701 Bi\n0.502487 0.501161 0.374392 Bi\n0.502041 0.003509 0.311705 Bi\n0.005023 0.507213 0.310064 Bi\n0.501123 0.500177 0.437250 Bi\n0.000122 0.500197 0.562435 Bi\n0.500095 0.500272 0.499917 Bi\n0.501132 0.000616 0.437254 Bi\n0.500297 0.000132 0.562428 Bi\n0.000780 0.501210 0.437089 Bi\n0.500303 0.500138 0.562430 Bi\n0.000049 0.499930 0.687513 Bi\n0.500052 0.500087 0.624973 Bi\n0.499814 0.000023 0.687527 Bi\n0.499792 0.499945 0.687527 Bi\n0.998927 0.498454 0.813032 Bi\n0.499926 0.499872 0.750043 Bi\n0.498337 0.999130 0.812906 Bi\n0.498364 0.499354 0.812911 Bi\n0.496349 0.498333 0.875878 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"volume_molar": 7.8045343156480085,
"formula_full": "Bi30 Ru32 O110",
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"energy": -1222.07008075,
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},
{
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