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{
"id": "mp-1021504",
"created_at": "2022-09-04T14:46:42.228685Z",
"structure_string": "Ba4 Nb2 Fe2 O12\n1.0\n-4.107862 -4.107606 -0.000054\n-0.000065 4.107617 -4.107913\n4.107972 -8.215375 -4.107989\nBa Nb Fe O\n4 2 2 12\ndirect\n0.624998 0.374994 0.124993 Ba\n0.125000 0.874998 0.624991 Ba\n0.874993 0.125003 0.375012 Ba\n0.375006 0.625004 0.874998 Ba\n0.249996 0.750004 0.250017 Nb\n0.750014 0.249999 0.749984 Nb\n0.500012 0.499992 0.499995 Fe\n0.000009 0.000012 0.000000 Fe\n0.126395 0.379163 0.126381 O\n0.626397 0.879173 0.626389 O\n0.373609 0.626392 0.373620 O\n0.873615 0.126390 0.873630 O\n0.620833 0.873601 0.126380 O\n0.120822 0.373601 0.626390 O\n0.373594 0.120823 0.373612 O\n0.873602 0.620834 0.873621 O\n0.126386 0.873612 0.126373 O\n0.626385 0.373610 0.626380 O\n0.879173 0.626398 0.373613 O\n0.379160 0.126397 0.873623 O\n",
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{
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"structure_string": "Ba1 Li1 Al3 P2 H2 O14\n1.0\n5.228896 3.307577 -3.602365\n-5.230775 3.307631 3.598975\n0.264604 -0.005867 7.628712\nBa Li Al P H O\n1 1 3 2 2 14\ndirect\n0.000304 0.995900 0.992398 Ba\n0.456248 0.534909 0.758118 Li\n0.996133 0.995453 0.482677 Al\n0.501129 0.000892 0.488780 Al\n0.993181 0.492869 0.487044 Al\n0.280102 0.712411 0.863853 P\n0.714614 0.275914 0.120965 P\n0.329344 0.666291 0.341539 H\n0.675718 0.320992 0.644884 H\n0.348442 0.642397 0.095627 O\n0.630100 0.357167 0.884895 O\n0.133768 0.855918 0.757262 O\n0.857281 0.132495 0.206125 O\n0.135864 0.488904 0.774156 O\n0.504580 0.858793 0.775258 O\n0.495124 0.116609 0.210561 O\n0.875523 0.496982 0.209020 O\n0.320019 0.674300 0.463276 O\n0.687743 0.307138 0.528904 O\n0.789453 0.971405 0.583854 O\n0.023091 0.204694 0.582826 O\n0.976655 0.784103 0.391538 O\n0.209681 0.017324 0.392868 O\n",
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"formula_full": "Ba1 Li1 Al3 P2 H2 O14",
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},
{
"id": "mp-4693",
"created_at": "2022-09-04T14:46:42.592822Z",
"structure_string": "Rb4 Al4 F16\n1.0\n6.396938 0.000000 0.000000\n0.000000 7.369522 0.000000\n0.000000 0.000000 7.379430\nRb Al F\n4 4 16\ndirect\n0.519434 0.500000 0.000000 Rb\n0.480566 0.000000 0.500000 Rb\n0.483866 0.000000 0.000000 Rb\n0.516134 0.500000 0.500000 Rb\n0.000000 0.750000 0.250000 Al\n0.000000 0.250000 0.750000 Al\n0.000000 0.250000 0.250000 Al\n0.000000 0.750000 0.750000 Al\n0.722005 0.767489 0.252791 F\n0.722005 0.232511 0.747209 F\n0.277995 0.267489 0.247209 F\n0.277995 0.732511 0.752791 F\n0.277995 0.732511 0.247209 F\n0.277995 0.267489 0.752791 F\n0.722005 0.232511 0.252791 F\n0.722005 0.767489 0.747209 F\n0.007316 0.782957 0.500000 F\n0.007316 0.217043 0.500000 F\n0.992684 0.282957 0.000000 F\n0.992684 0.717043 0.000000 F\n0.974743 0.500000 0.716976 F\n0.974743 0.500000 0.283024 F\n0.025257 0.000000 0.783024 F\n0.025257 0.000000 0.216976 F\n",
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"formula_full": "Rb4 Al4 F16",
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"spacegroup": 59
},
{
"id": "mp-1199716",
"created_at": "2022-09-04T14:46:38.856390Z",
"structure_string": "Si8 H64 C8 N32 F48\n1.0\n7.620110 0.000000 0.000000\n0.000000 10.518487 0.000000\n0.000000 0.000000 17.952000\nSi H C N F\n8 64 8 32 48\ndirect\n0.111980 0.450997 0.133937 Si\n0.111980 0.049003 0.366063 Si\n0.388020 0.950997 0.866063 Si\n0.388020 0.549003 0.633937 Si\n0.888020 0.549003 0.866063 Si\n0.888020 0.950997 0.633937 Si\n0.611980 0.049003 0.133937 Si\n0.611980 0.450997 0.366063 Si\n0.522152 0.759865 0.163799 H\n0.522152 0.740135 0.336201 H\n0.977848 0.259865 0.836201 H\n0.977848 0.240135 0.663799 H\n0.477848 0.240135 0.836201 H\n0.477848 0.259865 0.663799 H\n0.022152 0.740135 0.163799 H\n0.022152 0.759865 0.336201 H\n0.475255 0.608757 0.198161 H\n0.475255 0.891243 0.301839 H\n0.024745 0.108757 0.801839 H\n0.024745 0.391243 0.698161 H\n0.524745 0.391243 0.801839 H\n0.524745 0.108757 0.698161 H\n0.975255 0.891243 0.198161 H\n0.975255 0.608757 0.301839 H\n0.632511 0.784695 0.045948 H\n0.632511 0.715305 0.454052 H\n0.867489 0.284695 0.954052 H\n0.867489 0.215305 0.545948 H\n0.367489 0.215305 0.954052 H\n0.367489 0.284695 0.545948 H\n0.132511 0.715305 0.045948 H\n0.132511 0.784695 0.454052 H\n0.692423 0.652343 0.993103 H\n0.692423 0.847657 0.506897 H\n0.807577 0.152343 0.006897 H\n0.807577 0.347657 0.493103 H\n0.307577 0.347657 0.006897 H\n0.307577 0.152343 0.493103 H\n0.192423 0.847657 0.993103 H\n0.192423 0.652343 0.506897 H\n0.730485 0.460145 0.055709 H\n0.730485 0.039855 0.444291 H\n0.769515 0.960145 0.944291 H\n0.769515 0.539855 0.555709 H\n0.269515 0.539855 0.944291 H\n0.269515 0.960145 0.555709 H\n0.230485 0.039855 0.055709 H\n0.230485 0.460145 0.444291 H\n0.497867 0.390590 0.171818 H\n0.497867 0.109410 0.328182 H\n0.002133 0.890590 0.828182 H\n0.002133 0.609410 0.671818 H\n0.502133 0.609410 0.828182 H\n0.502133 0.890590 0.671818 H\n0.997867 0.109410 0.171818 H\n0.997867 0.390590 0.328182 H\n0.684418 0.320962 0.142158 H\n0.684418 0.179038 0.357842 H\n0.815582 0.820962 0.857842 H\n0.815582 0.679038 0.642158 H\n0.315582 0.679038 0.857842 H\n0.315582 0.820962 0.642158 H\n0.184418 0.179038 0.142158 H\n0.184418 0.320962 0.357842 H\n0.695916 0.447459 0.200789 H\n0.695916 0.052541 0.299211 H\n0.804084 0.947459 0.799211 H\n0.804084 0.552541 0.700789 H\n0.304084 0.552541 0.799211 H\n0.304084 0.947459 0.700789 H\n0.195916 0.052541 0.200789 H\n0.195916 0.447459 0.299211 H\n0.609173 0.615251 0.099810 C\n0.609173 0.884749 0.400190 C\n0.890827 0.115251 0.900190 C\n0.890827 0.384749 0.599810 C\n0.390827 0.384749 0.900190 C\n0.390827 0.115251 0.599810 C\n0.109173 0.884749 0.099810 C\n0.109173 0.615251 0.400190 C\n0.548536 0.663912 0.163416 N\n0.548536 0.836088 0.336584 N\n0.951464 0.163912 0.836584 N\n0.951464 0.336088 0.663416 N\n0.451464 0.336088 0.836584 N\n0.451464 0.163912 0.663416 N\n0.048536 0.836088 0.163416 N\n0.048536 0.663912 0.336584 N\n0.650186 0.688650 0.042676 N\n0.650186 0.811350 0.457324 N\n0.849814 0.188650 0.957324 N\n0.849814 0.311350 0.542676 N\n0.349814 0.311350 0.957324 N\n0.349814 0.188650 0.542676 N\n0.150186 0.811350 0.042676 N\n0.150186 0.688650 0.457324 N\n0.631086 0.486887 0.091140 N\n0.631086 0.013113 0.408860 N\n0.868914 0.986887 0.908860 N\n0.868914 0.513113 0.591140 N\n0.368914 0.513113 0.908860 N\n0.368914 0.986887 0.591140 N\n0.131086 0.013113 0.091140 N\n0.131086 0.486887 0.408860 N\n0.626455 0.408921 0.155823 N\n0.626455 0.091079 0.344177 N\n0.873545 0.908921 0.844177 N\n0.873545 0.591079 0.655823 N\n0.373545 0.591079 0.844177 N\n0.373545 0.908921 0.655823 N\n0.126455 0.091079 0.155823 N\n0.126455 0.408921 0.344177 N\n0.224897 0.540667 0.070387 F\n0.224897 0.959333 0.429613 F\n0.275103 0.040667 0.929613 F\n0.275103 0.459333 0.570387 F\n0.775103 0.459333 0.929613 F\n0.775103 0.040667 0.570387 F\n0.724897 0.959333 0.070387 F\n0.724897 0.540667 0.429613 F\n0.976227 0.395548 0.066205 F\n0.976227 0.104452 0.433795 F\n0.523773 0.895548 0.933795 F\n0.523773 0.604452 0.566205 F\n0.023773 0.604452 0.933795 F\n0.023773 0.895548 0.566205 F\n0.476227 0.104452 0.066205 F\n0.476227 0.395548 0.433795 F\n0.258563 0.325426 0.116530 F\n0.258563 0.174574 0.383470 F\n0.241437 0.825426 0.883470 F\n0.241437 0.674574 0.616530 F\n0.741437 0.674574 0.883470 F\n0.741437 0.825426 0.616530 F\n0.758563 0.174574 0.116530 F\n0.758563 0.325426 0.383470 F\n0.255134 0.502992 0.203607 F\n0.255134 0.997008 0.296393 F\n0.244866 0.002992 0.796393 F\n0.244866 0.497008 0.703607 F\n0.744866 0.497008 0.796393 F\n0.744866 0.002992 0.703607 F\n0.755134 0.997008 0.203607 F\n0.755134 0.502992 0.296393 F\n0.007931 0.360002 0.198344 F\n0.007931 0.139998 0.301656 F\n0.492069 0.860002 0.801656 F\n0.492069 0.639998 0.698344 F\n0.992069 0.639998 0.801656 F\n0.992069 0.860002 0.698344 F\n0.507931 0.139998 0.198344 F\n0.507931 0.360002 0.301656 F\n0.974528 0.577201 0.152401 F\n0.974528 0.922799 0.347599 F\n0.525472 0.077201 0.847599 F\n0.525472 0.422799 0.652401 F\n0.025472 0.422799 0.847599 F\n0.025472 0.077201 0.652401 F\n0.474528 0.922799 0.152401 F\n0.474528 0.577201 0.347599 F\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Sr4 Sm2 Mg1 Ta2 O12\n1.0\n4.964237 0.058951 -3.526693\n0.066205 6.325650 -0.010911\n4.790371 0.044417 6.912474\nSr Sm Mg Ta O\n4 2 1 2 12\ndirect\n0.000164 0.474132 0.234478 Sr\n0.996367 0.609085 0.738520 Sr\n0.500446 0.905752 0.258090 Sr\n0.457232 0.901843 0.718477 Sr\n0.995027 0.983128 0.461777 Sm\n0.479010 0.438746 0.005778 Sm\n0.855461 0.169722 0.793044 Mg\n0.015660 0.968534 0.064356 Ta\n0.494967 0.459370 0.498050 Ta\n0.845697 0.115487 0.227919 O\n0.085801 0.983867 0.725145 O\n0.575873 0.508730 0.270304 O\n0.415554 0.497910 0.731634 O\n0.222379 0.720347 0.024067 O\n0.829269 0.398238 0.942989 O\n0.317271 0.218866 0.451879 O\n0.717648 0.746326 0.523573 O\n0.258233 0.164649 0.083986 O\n0.748574 0.913999 0.938170 O\n0.254578 0.687013 0.465337 O\n0.757703 0.280089 0.576803 O\n",
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{
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"structure_string": "Li8 Cr4 O8\n1.0\n0.000669 0.583598 5.484978\n0.003161 6.294413 0.621990\n-5.864243 0.002928 0.000444\nLi Cr O\n8 4 8\ndirect\n0.631444 0.327556 0.499900 Li\n0.631439 0.827558 0.750007 Li\n0.631442 0.327560 0.999908 Li\n0.631443 0.827556 0.250017 Li\n0.368563 0.672443 0.499901 Li\n0.368564 0.172442 0.750011 Li\n0.368565 0.672441 0.999910 Li\n0.368562 0.172442 0.250017 Li\n0.000001 0.500000 0.247701 Cr\n0.999997 0.999997 0.502376 Cr\n0.999992 0.500008 0.747733 Cr\n0.999992 0.999996 0.002342 Cr\n0.259783 0.387710 0.498910 O\n0.259793 0.887711 0.751138 O\n0.259795 0.387712 0.998906 O\n0.259783 0.887712 0.251133 O\n0.740217 0.612289 0.498910 O\n0.740201 0.112290 0.751138 O\n0.740209 0.612287 0.998906 O\n0.740219 0.112287 0.251134 O\n",
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}