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{
"id": "mp-1194731",
"created_at": "2022-09-04T14:47:03.167093Z",
"structure_string": "Cs4 Ba8 Sn4 S16 Cl4\n1.0\n8.974257 0.000000 0.000000\n0.000000 10.122176 0.000000\n0.000000 0.195707 12.780237\nCs Ba Sn S Cl\n4 8 4 16 4\ndirect\n0.084577 0.521923 0.171694 Cs\n0.584577 0.478077 0.328306 Cs\n0.915423 0.478077 0.828306 Cs\n0.415423 0.521923 0.671694 Cs\n0.092636 0.979592 0.177743 Ba\n0.592636 0.020408 0.322257 Ba\n0.907364 0.020408 0.822257 Ba\n0.407364 0.979592 0.677743 Ba\n0.101370 0.251845 0.477163 Ba\n0.601370 0.748155 0.022837 Ba\n0.898630 0.748155 0.522837 Ba\n0.398630 0.251845 0.977163 Ba\n0.812459 0.242476 0.099914 Sn\n0.312459 0.757524 0.400086 Sn\n0.187541 0.757524 0.900086 Sn\n0.687541 0.242476 0.599914 Sn\n0.174670 0.561011 0.440881 S\n0.674670 0.438989 0.059119 S\n0.825330 0.438989 0.559119 S\n0.325330 0.561011 0.940881 S\n0.871343 0.217828 0.283585 S\n0.371343 0.782172 0.216415 S\n0.128657 0.782172 0.716415 S\n0.628657 0.217828 0.783585 S\n0.158370 0.945738 0.437441 S\n0.658370 0.054262 0.062559 S\n0.841630 0.054262 0.562559 S\n0.341630 0.945738 0.937441 S\n0.037469 0.216895 0.000040 S\n0.537469 0.783105 0.499960 S\n0.962531 0.783105 0.999960 S\n0.462531 0.216895 0.500040 S\n0.828404 0.784508 0.274662 Cl\n0.328404 0.215492 0.225338 Cl\n0.171596 0.215492 0.725338 Cl\n0.671596 0.784508 0.774662 Cl\n",
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{
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"structure_string": "Tl8 Ge4 Pb4 S16\n1.0\n9.242367 0.000000 0.000000\n0.000000 9.053534 0.000000\n0.000000 0.778673 10.634356\nTl Ge Pb S\n8 4 4 16\ndirect\n0.692401 0.559436 0.946723 Tl\n0.807599 0.059436 0.946723 Tl\n0.307599 0.440564 0.053277 Tl\n0.608053 0.099465 0.228778 Tl\n0.108053 0.400535 0.771222 Tl\n0.391947 0.900535 0.771222 Tl\n0.192401 0.940564 0.053277 Tl\n0.891947 0.599465 0.228778 Tl\n0.473434 0.707822 0.260855 Ge\n0.026566 0.207822 0.260855 Ge\n0.526566 0.292178 0.739145 Ge\n0.973434 0.792178 0.739145 Ge\n0.306278 0.398071 0.446169 Pb\n0.806278 0.101929 0.553831 Pb\n0.193722 0.898071 0.446169 Pb\n0.693722 0.601929 0.553831 Pb\n0.060864 0.022529 0.705677 S\n0.964919 0.322990 0.079478 S\n0.439136 0.522529 0.705677 S\n0.228468 0.683597 0.266147 S\n0.531229 0.839591 0.423857 S\n0.035081 0.677010 0.920522 S\n0.468771 0.160409 0.576143 S\n0.464919 0.177010 0.920522 S\n0.939136 0.977471 0.294323 S\n0.728468 0.816403 0.733853 S\n0.271532 0.183597 0.266147 S\n0.771532 0.316403 0.733853 S\n0.031229 0.660409 0.576143 S\n0.535081 0.822990 0.079478 S\n0.560864 0.477471 0.294323 S\n0.968771 0.339591 0.423857 S\n",
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"formula_full": "Tl8 Ge4 Pb4 S16",
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{
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{
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"structure_string": "Mg6 Al1 C1\n1.0\n4.336806 -5.024116 0.000000\n4.336806 5.024116 0.000000\n0.000000 0.000000 3.512017\nMg Al C\n6 1 1\ndirect\n0.381185 0.104877 0.500000 Mg\n0.895123 0.618815 0.500000 Mg\n0.211917 0.452960 0.000000 Mg\n0.547040 0.788083 0.000000 Mg\n0.674222 0.325778 0.000000 Mg\n0.126983 0.873017 0.000000 Mg\n0.894780 0.105220 0.500000 Al\n0.268758 0.731242 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:47:03.188556Z",
"structure_string": "Sr1 Ge12 Pb2 O27\n1.0\n5.775987 10.000232 0.000000\n-5.775987 10.000232 0.000000\n0.000000 0.005901 4.825188\nSr Ge Pb O\n1 12 2 27\ndirect\n0.672711 0.327289 0.000000 Sr\n0.999894 0.180176 0.500099 Ge\n0.819824 0.000106 0.499901 Ge\n0.180164 0.819836 0.500000 Ge\n0.999356 0.000644 0.000000 Ge\n0.510080 0.149348 0.599433 Ge\n0.340758 0.509609 0.600472 Ge\n0.149500 0.340725 0.599936 Ge\n0.850652 0.489920 0.400567 Ge\n0.659275 0.850500 0.400064 Ge\n0.490391 0.659242 0.399528 Ge\n0.333529 0.333460 0.107749 Ge\n0.666540 0.666471 0.892251 Ge\n0.000004 0.673927 0.000087 Pb\n0.326073 0.999996 0.999913 Pb\n0.675309 0.110617 0.706044 O\n0.215334 0.675160 0.706484 O\n0.109436 0.215119 0.706239 O\n0.889383 0.324691 0.293956 O\n0.784881 0.890564 0.293761 O\n0.324840 0.784666 0.293516 O\n0.490126 0.260566 0.328025 O\n0.250150 0.489417 0.329016 O\n0.260755 0.249961 0.328802 O\n0.739434 0.509874 0.671975 O\n0.750039 0.739245 0.671198 O\n0.510583 0.749850 0.670984 O\n0.845017 0.093934 0.236975 O\n0.060994 0.845551 0.237053 O\n0.093431 0.060952 0.237058 O\n0.906066 0.154983 0.763025 O\n0.939048 0.906569 0.762942 O\n0.154449 0.939006 0.762947 O\n0.999998 0.487323 0.500002 O\n0.512677 0.000002 0.499998 O\n0.488160 0.511840 0.500000 O\n0.399331 0.179656 0.878710 O\n0.422109 0.399100 0.879241 O\n0.179636 0.421182 0.878805 O\n0.820344 0.600669 0.121289 O\n0.578818 0.820364 0.121195 O\n0.600900 0.577891 0.120759 O\n",
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{
"id": "mp-626046",
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"structure_string": "H28 N4 O24\n1.0\n3.473838 0.000000 0.000000\n0.000000 9.958839 0.000000\n0.000000 0.000000 15.351064\nH N O\n28 4 24\ndirect\n0.359083 0.586812 0.747917 H\n0.859083 0.913188 0.252083 H\n0.640917 0.086812 0.752083 H\n0.140917 0.413188 0.247917 H\n0.955418 0.479967 0.667847 H\n0.249020 0.536656 0.596601 H\n0.749020 0.963344 0.403399 H\n0.455418 0.020033 0.332153 H\n0.750980 0.036656 0.903399 H\n0.044582 0.979967 0.832153 H\n0.250980 0.463344 0.096601 H\n0.544582 0.520033 0.167847 H\n0.979451 0.557109 0.979639 H\n0.151208 0.411249 0.960792 H\n0.479451 0.942891 0.020361 H\n0.651208 0.088751 0.039208 H\n0.020549 0.057109 0.520361 H\n0.848792 0.911249 0.539208 H\n0.520549 0.442891 0.479639 H\n0.348792 0.588751 0.460792 H\n0.572364 0.292025 0.883149 H\n0.198316 0.203336 0.881874 H\n0.698316 0.296664 0.118126 H\n0.072364 0.207975 0.116851 H\n0.427636 0.792025 0.616851 H\n0.801684 0.703336 0.618126 H\n0.927636 0.707975 0.383149 H\n0.301684 0.796664 0.381874 H\n0.312691 0.727183 0.835534 N\n0.812691 0.772817 0.164466 N\n0.687309 0.227183 0.664466 N\n0.187309 0.272817 0.335534 N\n0.428219 0.599212 0.813089 O\n0.928219 0.900788 0.186911 O\n0.571781 0.099212 0.686911 O\n0.071781 0.400788 0.313089 O\n0.275461 0.810174 0.776190 O\n0.775461 0.689826 0.223810 O\n0.724539 0.310174 0.723810 O\n0.224539 0.189826 0.276190 O\n0.256929 0.745697 0.913188 O\n0.756929 0.754303 0.086812 O\n0.743071 0.245697 0.586812 O\n0.243071 0.254303 0.413188 O\n0.129404 0.555605 0.656615 O\n0.629404 0.944395 0.343385 O\n0.870596 0.055605 0.843385 O\n0.370596 0.444395 0.156615 O\n0.040997 0.471441 0.006686 O\n0.540997 0.028559 0.993314 O\n0.959003 0.971441 0.493314 O\n0.459003 0.528559 0.506686 O\n0.295242 0.295241 0.891479 O\n0.795242 0.204759 0.108521 O\n0.704758 0.795241 0.608521 O\n0.204758 0.704759 0.391479 O\n",
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{
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{
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"structure_string": "Tb4 Cr4 Ge4 O20\n1.0\n5.813624 0.000000 0.000000\n0.000000 7.446628 0.000000\n0.000000 0.000000 8.513866\nTb Cr Ge O\n4 4 4 20\ndirect\n0.500000 0.357812 0.326175 Tb\n0.500000 0.642188 0.673825 Tb\n0.500000 0.142188 0.826175 Tb\n0.500000 0.857812 0.173825 Tb\n0.249290 0.000000 0.500000 Cr\n0.750710 0.000000 0.500000 Cr\n0.750710 0.500000 0.000000 Cr\n0.249290 0.500000 0.000000 Cr\n0.000000 0.116261 0.144512 Ge\n0.000000 0.883739 0.855488 Ge\n0.000000 0.383739 0.644512 Ge\n0.000000 0.616261 0.355488 Ge\n0.249401 0.109796 0.282354 O\n0.750599 0.890204 0.717646 O\n0.249401 0.890204 0.717646 O\n0.750599 0.390204 0.782354 O\n0.750599 0.109796 0.282354 O\n0.249401 0.609796 0.217646 O\n0.750599 0.609796 0.217646 O\n0.249401 0.390204 0.782354 O\n0.000000 0.342133 0.080336 O\n0.000000 0.657867 0.919664 O\n0.000000 0.157867 0.580336 O\n0.000000 0.842133 0.419664 O\n0.500000 0.331143 0.056388 O\n0.500000 0.668857 0.943612 O\n0.500000 0.168857 0.556388 O\n0.500000 0.831143 0.443612 O\n0.211385 0.000000 0.000000 O\n0.788615 0.000000 0.000000 O\n0.788615 0.500000 0.500000 O\n0.211385 0.500000 0.500000 O\n",
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{
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