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{
"id": "mp-1173631",
"created_at": "2022-09-04T14:48:18.771984Z",
"structure_string": "Na4 Mg12 Si16 O44 F4\n1.0\n8.286284 0.000000 0.000000\n1.350816 9.945372 0.000000\n2.365525 0.275088 11.451664\nNa Mg Si O F\n4 12 16 44 4\ndirect\n0.749830 0.270122 0.203544 Na\n0.476801 0.223049 0.556317 Na\n0.250170 0.729878 0.796456 Na\n0.523199 0.776951 0.443683 Na\n0.896004 0.738966 0.739093 Mg\n0.073858 0.776381 0.041253 Mg\n0.429825 0.884742 0.117600 Mg\n0.103996 0.261034 0.260907 Mg\n0.803397 0.019192 0.474185 Mg\n0.196603 0.980808 0.525815 Mg\n0.570175 0.115258 0.882400 Mg\n0.926142 0.223619 0.958747 Mg\n0.842406 0.294664 0.707806 Mg\n0.424759 0.321116 0.053790 Mg\n0.575241 0.678884 0.946210 Mg\n0.157594 0.705336 0.292194 Mg\n0.204399 0.079637 0.022346 Si\n0.518808 0.954328 0.697028 Si\n0.863620 0.029627 0.683372 Si\n0.207785 0.107059 0.749146 Si\n0.792215 0.892941 0.250854 Si\n0.136380 0.970373 0.316628 Si\n0.766364 0.535800 0.570396 Si\n0.481192 0.045672 0.302972 Si\n0.031299 0.480548 0.108692 Si\n0.795601 0.920363 0.977654 Si\n0.489976 0.562203 0.204059 Si\n0.816013 0.588753 0.296241 Si\n0.183987 0.411247 0.703759 Si\n0.510024 0.437797 0.795941 Si\n0.968701 0.519452 0.891308 Si\n0.233636 0.464200 0.429604 Si\n0.792431 0.668625 0.623282 O\n0.146895 0.121341 0.893337 O\n0.236712 0.913776 0.029565 O\n0.957084 0.844516 0.888902 O\n0.853105 0.878659 0.106663 O\n0.005868 0.626729 0.193166 O\n0.392518 0.066842 0.435563 O\n0.656698 0.614011 0.229199 O\n0.382272 0.138505 0.014696 O\n0.026060 0.090044 0.396126 O\n0.222295 0.846590 0.392164 O\n0.276683 0.961761 0.678172 O\n0.723317 0.038239 0.321828 O\n0.777705 0.153410 0.607836 O\n0.973940 0.909956 0.603874 O\n0.617728 0.861495 0.985304 O\n0.297958 0.034872 0.235131 O\n0.343302 0.385989 0.770801 O\n0.793296 0.756002 0.338382 O\n0.638446 0.445352 0.662993 O\n0.607482 0.933158 0.564437 O\n0.994132 0.373271 0.806834 O\n0.042916 0.155484 0.111098 O\n0.265483 0.464256 0.562751 O\n0.206704 0.243998 0.661618 O\n0.428724 0.098239 0.759846 O\n0.800417 0.615063 0.877098 O\n0.763288 0.086224 0.970435 O\n0.979695 0.110190 0.747150 O\n0.207569 0.331375 0.376718 O\n0.097736 0.573842 0.754583 O\n0.457100 0.572437 0.868502 O\n0.612437 0.312457 0.860523 O\n0.918231 0.414141 0.018959 O\n0.081769 0.585859 0.981041 O\n0.387563 0.687543 0.139477 O\n0.542900 0.427563 0.131498 O\n0.902264 0.426158 0.245417 O\n0.020305 0.889810 0.252850 O\n0.199583 0.384937 0.122902 O\n0.571276 0.901761 0.240154 O\n0.734517 0.535744 0.437249 O\n0.361554 0.554648 0.337007 O\n0.702042 0.965128 0.764869 O\n0.485438 0.817275 0.778756 F\n0.514562 0.182725 0.221244 F\n0.929732 0.413598 0.570518 F\n0.070268 0.586402 0.429482 F\n",
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"elements": [
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],
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"density_atomic": 0.08476967999365449,
"volume": 943.733655783394,
"volume_molar": 7.104121143846233,
"formula_full": "Na4 Mg12 Si16 O44 F4",
"formula_reduced": "NaMg3Si4O11F",
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"energy": -575.95231002,
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"updated_at": "2021-11-28T01:38:50.383000Z",
"spacegroup": 2
},
{
"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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"volume": 1006.775624598107,
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"formula_full": "Sr16 Ru15 O48",
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{
"id": "mp-19475",
"created_at": "2022-09-04T14:43:35.699100Z",
"structure_string": "La4 Co4 B20 O40\n1.0\n7.677063 0.000000 0.000000\n0.000000 8.890295 0.000000\n0.000000 8.478735 9.551195\nLa Co B O\n4 4 20 40\ndirect\n0.314561 0.943686 0.736643 La\n0.814561 0.056314 0.763357 La\n0.685439 0.056314 0.263357 La\n0.185439 0.943686 0.236643 La\n0.090260 0.475842 0.624960 Co\n0.590260 0.524158 0.875040 Co\n0.909740 0.524158 0.375040 Co\n0.409740 0.475842 0.124960 Co\n0.183389 0.508080 0.917027 B\n0.683389 0.491920 0.582973 B\n0.816611 0.491920 0.082973 B\n0.316611 0.508080 0.417027 B\n0.906574 0.842260 0.505929 B\n0.406574 0.157740 0.994071 B\n0.093426 0.157740 0.494071 B\n0.593426 0.842260 0.005929 B\n0.964578 0.266864 0.948398 B\n0.464578 0.733136 0.551602 B\n0.035422 0.733136 0.051602 B\n0.535422 0.266864 0.448398 B\n0.173469 0.096394 0.890313 B\n0.673469 0.903606 0.609687 B\n0.826531 0.903606 0.109687 B\n0.326531 0.096394 0.390313 B\n0.918486 0.641278 0.766152 B\n0.418486 0.358722 0.733848 B\n0.081514 0.358722 0.233848 B\n0.581514 0.641278 0.266152 B\n0.039640 0.116042 0.612319 O\n0.539640 0.883958 0.887681 O\n0.960360 0.883958 0.387681 O\n0.460360 0.116042 0.112319 O\n0.844454 0.442193 0.564329 O\n0.344454 0.557807 0.935671 O\n0.155546 0.557807 0.435671 O\n0.655546 0.442193 0.064329 O\n0.124167 0.315004 0.992257 O\n0.624167 0.684996 0.507743 O\n0.875833 0.684996 0.007743 O\n0.375833 0.315004 0.492257 O\n0.280368 0.031834 0.008970 O\n0.780368 0.968166 0.491030 O\n0.719632 0.968166 0.991030 O\n0.219632 0.031834 0.508970 O\n0.109689 0.917094 0.914509 O\n0.609689 0.082906 0.585491 O\n0.890311 0.082906 0.085491 O\n0.390311 0.917094 0.414509 O\n0.021667 0.227051 0.856998 O\n0.521667 0.772949 0.643002 O\n0.978333 0.772949 0.143002 O\n0.478333 0.227051 0.356998 O\n0.846651 0.438392 0.871355 O\n0.346651 0.561608 0.628645 O\n0.153349 0.561608 0.128645 O\n0.653349 0.438392 0.371355 O\n0.081443 0.670344 0.812874 O\n0.581443 0.329656 0.687126 O\n0.918557 0.329656 0.187126 O\n0.418557 0.670344 0.312874 O\n0.965349 0.677668 0.636917 O\n0.465349 0.322332 0.863083 O\n0.034651 0.322332 0.363083 O\n0.534651 0.677668 0.136917 O\n0.779764 0.780356 0.741038 O\n0.279764 0.219644 0.758962 O\n0.220236 0.219644 0.258962 O\n0.720236 0.780356 0.241038 O\n",
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{
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"structure_string": "H12 C24 N36\n1.0\n0.000000 0.000000 8.436397\n8.508293 0.006960 -4.218198\n0.010639 12.747695 0.000000\nH C N\n12 24 36\ndirect\n0.421421 0.842841 0.950861 H\n0.374158 0.748316 0.825022 H\n0.577849 0.155698 0.056291 H\n0.624651 0.249301 0.182049 H\n0.380986 0.761971 0.615849 H\n0.618548 0.237095 0.394698 H\n0.080093 0.160185 0.445747 H\n0.123490 0.246980 0.317571 H\n0.924436 0.848873 0.556713 H\n0.875652 0.751304 0.681423 H\n0.117803 0.235606 0.112607 H\n0.879100 0.758201 0.893326 H\n0.162374 0.324748 0.965544 C\n0.073586 0.147173 0.830734 C\n0.216139 0.432277 0.803147 C\n0.129317 0.258634 0.653175 C\n0.262226 0.524452 0.633949 C\n0.338564 0.677128 0.465843 C\n0.426902 0.853803 0.330276 C\n0.237593 0.475186 0.134704 C\n0.370904 0.741808 0.153069 C\n0.504068 0.008137 0.180997 C\n0.494690 0.989381 0.826259 C\n0.627634 0.255267 0.855559 C\n0.760397 0.520794 0.874775 C\n0.572550 0.145101 0.677998 C\n0.714994 0.429988 0.705759 C\n0.661571 0.323141 0.543432 C\n0.737673 0.475345 0.375168 C\n0.870615 0.741230 0.355427 C\n0.783244 0.566488 0.205891 C\n0.925250 0.850499 0.177010 C\n0.836422 0.672844 0.042879 C\n0.996451 0.992903 0.682152 C\n0.284166 0.568332 0.303751 C\n0.003335 0.006670 0.324506 C\n0.227295 0.454589 0.906064 N\n0.086748 0.173496 0.934129 N\n0.139844 0.279689 0.762519 N\n0.277767 0.555534 0.738227 N\n0.058222 0.116444 0.613564 N\n0.191774 0.383547 0.589243 N\n0.329669 0.659338 0.573711 N\n0.273506 0.547011 0.406630 N\n0.414110 0.828219 0.433917 N\n0.498532 0.997063 0.288410 N\n0.360462 0.720924 0.262474 N\n0.222144 0.444289 0.239074 N\n0.170577 0.341153 0.073545 N\n0.308159 0.616318 0.089805 N\n0.442072 0.884144 0.112850 N\n0.574606 0.149211 0.136978 N\n0.424199 0.848398 0.870229 N\n0.556217 0.112434 0.894897 N\n0.689811 0.379622 0.919667 N\n0.827597 0.655194 0.935084 N\n0.500646 0.001291 0.719009 N\n0.638543 0.277086 0.746296 N\n0.776466 0.552931 0.770637 N\n0.585838 0.171675 0.574625 N\n0.726343 0.452685 0.602840 N\n0.670343 0.340686 0.435723 N\n0.808356 0.616713 0.419690 N\n0.942388 0.884776 0.394275 N\n0.721715 0.443431 0.271075 N\n0.859615 0.719229 0.246114 N\n0.771809 0.543619 0.102965 N\n0.912072 0.824143 0.073673 N\n0.997145 0.994291 0.217503 N\n0.926239 0.852478 0.637417 N\n0.001807 0.003614 0.789463 N\n0.074765 0.149530 0.365621 N\n",
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{
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}