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{
"id": "mp-1198109",
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"spacegroup": 2
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{
"id": "mp-1204667",
"created_at": "2022-09-04T14:41:59.643535Z",
"structure_string": "Pu4 P8 H24 C8 O24\n1.0\n-8.313860 0.000000 0.350176\n0.017762 0.000000 -9.625689\n0.000000 -10.885044 0.000000\nPu P H C O\n4 8 24 8 24\ndirect\n0.074386 0.262560 0.391472 Pu\n0.925614 0.237440 0.891472 Pu\n0.925614 0.737440 0.608528 Pu\n0.074386 0.762560 0.108528 Pu\n0.175625 0.060424 0.656530 P\n0.824375 0.439576 0.156530 P\n0.824375 0.939576 0.343470 P\n0.175625 0.560424 0.843470 P\n0.223192 0.615713 0.389313 P\n0.776808 0.884287 0.889313 P\n0.776808 0.384287 0.610687 P\n0.223192 0.115713 0.110687 P\n0.347416 0.947195 0.797426 H\n0.652584 0.552805 0.297426 H\n0.652584 0.052805 0.202574 H\n0.347416 0.447195 0.702574 H\n0.438003 0.961548 0.649281 H\n0.561997 0.538452 0.149281 H\n0.561997 0.038452 0.350719 H\n0.438003 0.461548 0.850719 H\n0.438108 0.109233 0.747496 H\n0.561892 0.390767 0.247496 H\n0.561892 0.890767 0.252504 H\n0.438108 0.609233 0.752504 H\n0.379784 0.811064 0.462809 H\n0.620216 0.688936 0.962809 H\n0.620216 0.188936 0.537191 H\n0.379784 0.311064 0.037191 H\n0.393581 0.664996 0.562283 H\n0.606419 0.835004 0.062283 H\n0.606419 0.335004 0.437717 H\n0.393581 0.164996 0.937717 H\n0.507842 0.673744 0.424097 H\n0.492158 0.826256 0.924097 H\n0.492158 0.326256 0.575903 H\n0.507842 0.173744 0.075903 H\n0.367988 0.016182 0.718138 C\n0.632012 0.483818 0.218138 C\n0.632012 0.983818 0.281862 C\n0.367988 0.516182 0.781862 C\n0.393077 0.698280 0.465995 C\n0.606923 0.801720 0.965995 C\n0.606923 0.301720 0.534005 C\n0.393077 0.198280 0.034005 C\n0.205798 0.155541 0.544041 O\n0.794202 0.344459 0.044041 O\n0.794202 0.844459 0.455959 O\n0.205798 0.655541 0.955959 O\n0.083199 0.133647 0.759081 O\n0.916801 0.366353 0.259081 O\n0.916801 0.866353 0.240919 O\n0.083199 0.633647 0.740919 O\n0.088510 0.922224 0.618995 O\n0.911490 0.577776 0.118995 O\n0.911490 0.077776 0.381005 O\n0.088510 0.422224 0.881005 O\n0.238365 0.456035 0.393594 O\n0.761635 0.043965 0.893594 O\n0.761635 0.543965 0.606406 O\n0.238365 0.956035 0.106406 O\n0.069859 0.657218 0.457374 O\n0.930141 0.842782 0.957374 O\n0.930141 0.342782 0.542626 O\n0.069859 0.157218 0.042626 O\n0.223360 0.669882 0.255378 O\n0.776640 0.830118 0.755378 O\n0.776640 0.330118 0.744622 O\n0.223360 0.169882 0.244622 O\n",
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"volume_molar": 7.713881372996789,
"formula_full": "Pu4 P8 H24 C8 O24",
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"spacegroup": 14
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{
"id": "mp-1096469",
"created_at": "2022-09-04T14:45:33.550296Z",
"structure_string": "Hf2 Re1 Pt1\n1.0\n-4.875314 5.615643 7.953465\n4.875314 -5.615643 7.953465\n4.875314 5.615643 -7.953465\nHf Re Pt\n2 1 1\ndirect\n0.000000 0.237937 0.237937 Hf\n0.000000 0.762063 0.762063 Hf\n0.000000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Pt\n",
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{
"id": "mp-1097315",
"created_at": "2022-09-04T14:41:34.982841Z",
"structure_string": "Zr2 Os1 Pd1\n1.0\n-4.873959 5.663280 7.888649\n4.873959 -5.663280 7.888649\n4.873959 5.663280 -7.888649\nZr Os Pd\n2 1 1\ndirect\n0.000000 0.262050 0.262050 Zr\n0.000000 0.737950 0.737950 Zr\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "mp-773060",
"created_at": "2022-09-04T14:47:28.778619Z",
"structure_string": "Ba6 Ta9 Ti7 O42\n1.0\n7.933039 4.588667 0.000000\n-7.933039 4.588667 0.000000\n0.000000 0.000072 11.963077\nBa Ta Ti O\n6 9 7 42\ndirect\n0.595580 0.595580 0.756170 Ba\n0.411431 0.411431 0.250144 Ba\n0.406798 0.999397 0.756357 Ba\n0.594764 0.995151 0.250575 Ba\n0.995151 0.594764 0.250575 Ba\n0.999397 0.406798 0.756357 Ba\n0.245691 0.245691 0.591998 Ta\n0.665462 0.334171 0.996319 Ta\n0.666757 0.333709 0.493712 Ta\n0.241892 0.997444 0.091454 Ta\n0.998810 0.754984 0.593829 Ta\n0.754984 0.998810 0.593829 Ta\n0.334171 0.665462 0.996319 Ta\n0.333709 0.666757 0.493712 Ta\n0.997444 0.241892 0.091454 Ta\n0.749796 0.749796 0.090491 Ti\n0.758675 0.758675 0.398760 Ti\n0.244866 0.244866 0.904744 Ti\n0.244647 0.999942 0.404183 Ti\n0.995237 0.753497 0.908739 Ti\n0.753497 0.995237 0.908739 Ti\n0.999942 0.244647 0.404183 Ti\n0.799630 0.799630 0.926577 O\n0.800131 0.800131 0.577344 O\n0.786218 0.786218 0.248518 O\n0.686945 0.518633 0.097921 O\n0.687270 0.519085 0.400544 O\n0.209950 0.209950 0.751002 O\n0.202967 0.202967 0.425443 O\n0.201547 0.201547 0.076421 O\n0.831599 0.518759 0.899452 O\n0.830819 0.516150 0.599390 O\n0.481000 0.313322 0.900365 O\n0.483876 0.314757 0.599425 O\n0.480616 0.167208 0.401111 O\n0.482876 0.168868 0.098988 O\n0.832636 0.313130 0.400665 O\n0.831806 0.316197 0.100697 O\n0.203735 0.002120 0.925188 O\n0.201214 0.000038 0.576106 O\n0.209344 0.000001 0.251138 O\n0.688081 0.167642 0.903473 O\n0.685466 0.169037 0.598886 O\n0.999758 0.798908 0.425306 O\n0.001649 0.799147 0.075310 O\n0.999927 0.789517 0.752061 O\n0.313130 0.832636 0.400665 O\n0.316197 0.831806 0.100697 O\n0.789517 0.999927 0.752061 O\n0.798908 0.999758 0.425306 O\n0.799147 0.001649 0.075310 O\n0.167642 0.688081 0.903473 O\n0.169037 0.685466 0.598886 O\n0.516150 0.830819 0.599390 O\n0.518759 0.831599 0.899452 O\n0.519085 0.687270 0.400544 O\n0.518633 0.686945 0.097921 O\n0.167208 0.480616 0.401111 O\n0.168868 0.482876 0.098988 O\n0.314757 0.483876 0.599425 O\n0.313322 0.481000 0.900365 O\n0.000001 0.209344 0.251138 O\n0.000038 0.201214 0.576106 O\n0.002120 0.203735 0.925188 O\n",
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{
"id": "mp-695000",
"created_at": "2022-09-04T14:39:58.721614Z",
"structure_string": "Li2 Mg12 Sc2 Si16 O48\n1.0\n14.034785 0.000000 0.000000\n0.000000 7.828603 0.000000\n0.000000 0.516346 7.926703\nLi Mg Sc Si O\n2 12 2 16 48\ndirect\n0.410130 0.429625 0.099951 Li\n0.589870 0.929625 0.099951 Li\n0.745305 0.291330 0.527709 Mg\n0.171691 0.055779 0.757370 Mg\n0.254695 0.791330 0.527709 Mg\n0.828309 0.555779 0.757370 Mg\n0.362344 0.192339 0.722755 Mg\n0.973984 0.182725 0.691838 Mg\n0.637656 0.692339 0.722755 Mg\n0.026016 0.682725 0.691838 Mg\n0.850111 0.094224 0.291105 Mg\n0.050920 0.335752 0.075632 Mg\n0.949080 0.835752 0.075632 Mg\n0.149889 0.594224 0.291105 Mg\n0.745871 0.688068 0.375589 Sc\n0.254129 0.188068 0.375589 Sc\n0.837024 0.467654 0.095073 Si\n0.238534 0.644609 0.930532 Si\n0.761466 0.144609 0.930532 Si\n0.162976 0.967654 0.095073 Si\n0.522885 0.441429 0.566663 Si\n0.939908 0.452951 0.412648 Si\n0.477115 0.941429 0.566663 Si\n0.060092 0.952951 0.412648 Si\n0.822464 0.908113 0.688441 Si\n0.597948 0.585034 0.139930 Si\n0.402052 0.085034 0.139930 Si\n0.177536 0.408113 0.688441 Si\n0.598665 0.132348 0.376361 Si\n0.401335 0.632348 0.376361 Si\n0.553789 0.261906 0.938608 Si\n0.446211 0.761906 0.938608 Si\n0.566713 0.390922 0.083538 O\n0.065989 0.402123 0.755190 O\n0.934011 0.902123 0.755190 O\n0.433287 0.890922 0.083538 O\n0.095007 0.798205 0.143364 O\n0.559024 0.689563 0.947894 O\n0.440976 0.189563 0.947894 O\n0.904993 0.298205 0.143364 O\n0.477056 0.586741 0.231133 O\n0.902207 0.604846 0.971495 O\n0.522944 0.086741 0.231133 O\n0.097793 0.104846 0.971495 O\n0.289185 0.652712 0.328094 O\n0.929804 0.564588 0.580539 O\n0.070196 0.064588 0.580539 O\n0.710815 0.152712 0.328094 O\n0.628727 0.752043 0.244301 O\n0.217242 0.608443 0.725726 O\n0.782758 0.108443 0.725726 O\n0.371273 0.252043 0.244301 O\n0.195977 0.389734 0.488501 O\n0.730115 0.529187 0.581079 O\n0.269885 0.029187 0.581079 O\n0.804023 0.889734 0.488501 O\n0.961080 0.942060 0.310897 O\n0.450466 0.140992 0.556629 O\n0.549534 0.640992 0.556629 O\n0.038920 0.442060 0.310897 O\n0.408849 0.830179 0.446109 O\n0.641078 0.119933 0.946102 O\n0.358922 0.619933 0.946102 O\n0.591151 0.330179 0.446109 O\n0.551964 0.369473 0.758272 O\n0.108020 0.767156 0.487784 O\n0.448036 0.869473 0.758272 O\n0.891980 0.267156 0.487784 O\n0.756236 0.774715 0.798236 O\n0.135371 0.064797 0.285068 O\n0.243764 0.274715 0.798236 O\n0.864629 0.564797 0.285068 O\n0.593474 0.966547 0.526933 O\n0.406526 0.466547 0.526933 O\n0.818239 0.007661 0.053083 O\n0.181761 0.507661 0.053083 O\n0.785022 0.352522 0.917323 O\n0.278745 0.030971 0.142506 O\n0.214978 0.852522 0.917323 O\n0.721255 0.530971 0.142506 O\n",
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"formula_full": "Li2 Mg12 Sc2 Si16 O48",
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{
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