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{
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{
"id": "mp-1193655",
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{
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"formula_full": "H4 C4 S6 N4 O12 F12",
"formula_reduced": "H2C2S3N2(OF)6",
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"energy": -248.38230172,
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"spacegroup": 15
},
{
"id": "mp-1265272",
"created_at": "2022-09-04T14:47:05.553781Z",
"structure_string": "Li2 Mg2 Al6 S12 O48\n1.0\n6.827871 0.026691 5.472911\n0.206403 8.219771 15.450069\n0.179270 0.012767 15.443212\nLi Mg Al S O\n2 2 6 12 48\ndirect\n0.277683 0.396484 0.678481 Li\n0.722317 0.603516 0.321519 Li\n0.356473 0.498779 0.355358 Mg\n0.643527 0.501221 0.644642 Mg\n0.141482 0.998398 0.157821 Al\n0.358713 0.994823 0.359362 Al\n0.158831 0.503176 0.142182 Al\n0.641287 0.005177 0.640638 Al\n0.841169 0.496824 0.857818 Al\n0.858518 0.001602 0.842179 Al\n0.032327 0.146851 0.458650 S\n0.745304 0.206532 0.045488 S\n0.536417 0.351455 0.252944 S\n0.044682 0.643213 0.468006 S\n0.453465 0.130610 0.767420 S\n0.763554 0.710344 0.036746 S\n0.236446 0.289656 0.963254 S\n0.546535 0.869390 0.232580 S\n0.955318 0.356787 0.531994 S\n0.463583 0.648545 0.747056 S\n0.254696 0.793468 0.954512 S\n0.967673 0.853149 0.541350 S\n0.292548 0.182698 0.122060 O\n0.034593 0.319231 0.312552 O\n0.017781 0.034910 0.651383 O\n0.215796 0.107221 0.385641 O\n0.589839 0.082276 0.236297 O\n0.342210 0.354911 0.273437 O\n0.105673 0.382553 0.517653 O\n0.732527 0.313979 0.019865 O\n0.942371 0.125320 0.051703 O\n0.280293 0.704026 0.115620 O\n0.605697 0.179945 0.399626 O\n0.678966 0.456349 0.050308 O\n0.032582 0.812610 0.333381 O\n0.519900 0.412563 0.285907 O\n0.020622 0.526652 0.669365 O\n0.245998 0.601537 0.406214 O\n0.469588 0.083535 0.716695 O\n0.311629 0.021554 0.971577 O\n0.381095 0.301084 0.630147 O\n0.625844 0.575285 0.234572 O\n0.032923 0.351396 0.988418 O\n0.246036 0.196917 0.967183 O\n0.859377 0.124213 0.485810 O\n0.348742 0.874957 0.256581 O\n0.651258 0.125043 0.743419 O\n0.140623 0.875787 0.514190 O\n0.753964 0.803083 0.032817 O\n0.967077 0.648604 0.011582 O\n0.374156 0.424715 0.765428 O\n0.618905 0.698916 0.369853 O\n0.688371 0.978446 0.028423 O\n0.530412 0.916465 0.283305 O\n0.754002 0.398463 0.593786 O\n0.979378 0.473348 0.330634 O\n0.480100 0.587437 0.714093 O\n0.967418 0.187390 0.666619 O\n0.321034 0.543651 0.949692 O\n0.394303 0.820055 0.600374 O\n0.719707 0.295974 0.884380 O\n0.057629 0.874680 0.948297 O\n0.267473 0.686021 0.980135 O\n0.894327 0.617447 0.482347 O\n0.657790 0.645089 0.726563 O\n0.410161 0.917724 0.763703 O\n0.784204 0.892779 0.614359 O\n0.982219 0.965090 0.348617 O\n0.965407 0.680769 0.687448 O\n0.707452 0.817302 0.877940 O\n",
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"elements": [
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"formula_full": "Li2 Mg2 Al6 S12 O48",
"formula_reduced": "LiMgAl3(SO4)6",
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},
{
"id": "mp-1210433",
"created_at": "2022-09-04T14:39:18.214831Z",
"structure_string": "Na4 Mg2 Ga2 F14\n1.0\n-3.616767 3.759348 5.175407\n3.616767 -3.759348 5.175407\n3.616767 3.759348 -5.175407\nNa Mg Ga F\n4 2 2 14\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.863418 0.590553 0.272866 F\n0.182313 0.909447 0.272866 F\n0.182192 0.809729 0.762124 F\n0.452394 0.690271 0.372463 F\n0.452394 0.079932 0.762124 F\n0.182192 0.420068 0.372463 F\n0.817808 0.579932 0.627537 F\n0.547606 0.920068 0.237876 F\n0.547606 0.309729 0.627537 F\n0.817808 0.190271 0.237876 F\n0.399085 0.250000 0.149085 F\n0.136582 0.409447 0.727134 F\n0.817687 0.090553 0.727134 F\n0.600915 0.750000 0.850915 F\n",
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{
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"created_at": "2022-09-04T14:41:47.435034Z",
"structure_string": "Lu12 O8 F20\n1.0\n5.274704 0.000000 0.000000\n0.000000 5.533474 0.000000\n0.000000 0.000000 17.014023\nLu O F\n12 8 20\ndirect\n0.959895 0.670515 0.597694 Lu\n0.459895 0.829485 0.402306 Lu\n0.456551 0.265658 0.250000 Lu\n0.540105 0.170515 0.597694 Lu\n0.540105 0.170515 0.902306 Lu\n0.956551 0.234342 0.750000 Lu\n0.040105 0.329485 0.402306 Lu\n0.543449 0.734342 0.750000 Lu\n0.040105 0.329485 0.097694 Lu\n0.959895 0.670515 0.902306 Lu\n0.459895 0.829485 0.097694 Lu\n0.043449 0.765658 0.250000 Lu\n0.295410 0.540811 0.331138 O\n0.795410 0.959189 0.668862 O\n0.704590 0.459189 0.831138 O\n0.204590 0.040811 0.331138 O\n0.704590 0.459189 0.668862 O\n0.204590 0.040811 0.168862 O\n0.795410 0.959189 0.831138 O\n0.295410 0.540811 0.168862 O\n0.711196 0.878803 0.515746 F\n0.820388 0.662103 0.374544 F\n0.179612 0.337897 0.625456 F\n0.852778 0.396372 0.250000 F\n0.647222 0.896372 0.250000 F\n0.211196 0.621197 0.484254 F\n0.288804 0.121197 0.484254 F\n0.288804 0.121197 0.015746 F\n0.320388 0.837897 0.625456 F\n0.788804 0.378803 0.515746 F\n0.211196 0.621197 0.015746 F\n0.788804 0.378803 0.984254 F\n0.320388 0.837897 0.874544 F\n0.147222 0.603628 0.750000 F\n0.679612 0.162103 0.374544 F\n0.179612 0.337897 0.874544 F\n0.711196 0.878803 0.984254 F\n0.820388 0.662103 0.125456 F\n0.679612 0.162103 0.125456 F\n0.352778 0.103628 0.750000 F\n",
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{
"id": "mp-558752",
"created_at": "2022-09-04T14:42:26.975006Z",
"structure_string": "Rb8 Ca8 S12 O48\n1.0\n10.751636 0.000000 0.000000\n0.000000 10.751636 0.000000\n0.000000 0.000000 10.751636\nRb Ca S O\n8 8 12 48\ndirect\n0.550244 0.449756 0.949756 Rb\n0.684063 0.184063 0.315937 Rb\n0.449756 0.949756 0.550244 Rb\n0.815937 0.815937 0.815937 Rb\n0.050244 0.050244 0.050244 Rb\n0.949756 0.550244 0.449756 Rb\n0.315937 0.684063 0.184063 Rb\n0.184063 0.315937 0.684063 Rb\n0.168577 0.668577 0.831423 Ca\n0.831423 0.168577 0.668577 Ca\n0.407809 0.092191 0.907809 Ca\n0.668577 0.831423 0.168577 Ca\n0.092191 0.907809 0.407809 Ca\n0.592191 0.592191 0.592191 Ca\n0.907809 0.407809 0.092191 Ca\n0.331423 0.331423 0.331423 Ca\n0.624980 0.510902 0.275956 S\n0.275956 0.624980 0.510902 S\n0.510902 0.275956 0.624980 S\n0.224044 0.375020 0.010902 S\n0.375020 0.010902 0.224044 S\n0.875020 0.489098 0.775956 S\n0.724044 0.124980 0.989098 S\n0.010902 0.224044 0.375020 S\n0.775956 0.875020 0.489098 S\n0.124980 0.989098 0.724044 S\n0.489098 0.775956 0.875020 S\n0.989098 0.724044 0.124980 S\n0.406299 0.141167 0.258085 O\n0.039379 0.809995 0.221165 O\n0.906254 0.827602 0.494848 O\n0.906299 0.358833 0.741915 O\n0.309995 0.278835 0.960621 O\n0.172398 0.994848 0.593746 O\n0.190005 0.721165 0.460621 O\n0.011360 0.067363 0.736873 O\n0.736873 0.011360 0.067363 O\n0.858833 0.758085 0.093701 O\n0.758085 0.093701 0.858833 O\n0.827602 0.494848 0.906254 O\n0.241915 0.593701 0.641167 O\n0.494848 0.906254 0.827602 O\n0.741915 0.906299 0.358833 O\n0.141167 0.258085 0.406299 O\n0.690005 0.778835 0.539379 O\n0.567363 0.763127 0.988640 O\n0.593746 0.172398 0.994848 O\n0.093746 0.327602 0.005152 O\n0.505152 0.406254 0.672398 O\n0.327602 0.005152 0.093746 O\n0.672398 0.505152 0.406254 O\n0.809995 0.221165 0.039379 O\n0.460621 0.190005 0.721165 O\n0.005152 0.093746 0.327602 O\n0.778835 0.539379 0.690005 O\n0.539379 0.690005 0.778835 O\n0.641167 0.241915 0.593701 O\n0.432637 0.263127 0.511360 O\n0.960621 0.309995 0.278835 O\n0.721165 0.460621 0.190005 O\n0.994848 0.593746 0.172398 O\n0.406254 0.672398 0.505152 O\n0.932637 0.236873 0.488640 O\n0.221165 0.039379 0.809995 O\n0.593701 0.641167 0.241915 O\n0.067363 0.736873 0.011360 O\n0.278835 0.960621 0.309995 O\n0.258085 0.406299 0.141167 O\n0.763127 0.988640 0.567363 O\n0.988640 0.567363 0.763127 O\n0.236873 0.488640 0.932637 O\n0.093701 0.858833 0.758085 O\n0.263127 0.511360 0.432637 O\n0.358833 0.741915 0.906299 O\n0.511360 0.432637 0.263127 O\n0.488640 0.932637 0.236873 O\n",
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},
{
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