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{
"id": "mp-1197422",
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{
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"structure_string": "Na8 H48 C16 S16 N24 O16\n1.0\n20.120781 0.000000 0.000000\n0.000000 8.737786 0.000000\n0.000000 0.230392 8.976837\nNa H C S N O\n8 48 16 16 24 16\ndirect\n0.497378 0.973094 0.283718 Na\n0.502622 0.026906 0.716282 Na\n0.997378 0.526906 0.716282 Na\n0.002622 0.473094 0.283718 Na\n0.506525 0.707739 0.018341 Na\n0.493475 0.292261 0.981659 Na\n0.006525 0.792261 0.981659 Na\n0.993475 0.207739 0.018341 Na\n0.230505 0.747439 0.230807 H\n0.769495 0.252561 0.769193 H\n0.730505 0.752561 0.769193 H\n0.269495 0.247439 0.230807 H\n0.950818 0.780817 0.269627 H\n0.049182 0.219183 0.730373 H\n0.450818 0.719183 0.730373 H\n0.549182 0.280817 0.269627 H\n0.528104 0.707833 0.688737 H\n0.471896 0.292167 0.311263 H\n0.028104 0.792167 0.311263 H\n0.971896 0.207833 0.688737 H\n0.714956 0.813549 0.254394 H\n0.285044 0.186451 0.745606 H\n0.214956 0.686451 0.745606 H\n0.785044 0.313549 0.254394 H\n0.646656 0.803183 0.798101 H\n0.353344 0.196817 0.201899 H\n0.146656 0.696817 0.201899 H\n0.853344 0.303183 0.798101 H\n0.390639 0.538179 0.079139 H\n0.609361 0.461821 0.920861 H\n0.890639 0.961821 0.920861 H\n0.109361 0.038179 0.079139 H\n0.634153 0.743708 0.261350 H\n0.365847 0.256292 0.738650 H\n0.134153 0.756292 0.738650 H\n0.865847 0.243708 0.261350 H\n0.892958 0.961304 0.094051 H\n0.107042 0.038696 0.905949 H\n0.392958 0.538696 0.905949 H\n0.607042 0.461304 0.094051 H\n0.527153 0.624202 0.353780 H\n0.472847 0.375798 0.646220 H\n0.027153 0.875798 0.646220 H\n0.972847 0.124202 0.353780 H\n0.892852 0.593161 0.484274 H\n0.107148 0.406839 0.515726 H\n0.392852 0.906839 0.515726 H\n0.607148 0.093161 0.484274 H\n0.605032 0.915410 0.493972 H\n0.394968 0.084590 0.506028 H\n0.105032 0.584590 0.506028 H\n0.894968 0.415410 0.493972 H\n0.453638 0.677497 0.303919 H\n0.546362 0.322503 0.696081 H\n0.953638 0.822503 0.696081 H\n0.046362 0.177497 0.303919 H\n0.661631 0.652048 0.632487 C\n0.338369 0.347952 0.367513 C\n0.161631 0.847952 0.367513 C\n0.838369 0.152048 0.632487 C\n0.648676 0.922561 0.114488 C\n0.351324 0.077439 0.885512 C\n0.148676 0.577439 0.885512 C\n0.851324 0.422561 0.114488 C\n0.851899 0.979370 0.425122 C\n0.148101 0.020630 0.574878 C\n0.351899 0.520630 0.574878 C\n0.648101 0.479370 0.425122 C\n0.359000 0.890552 0.091569 C\n0.641000 0.109448 0.908431 C\n0.859000 0.609448 0.908431 C\n0.141000 0.390552 0.091569 C\n0.716551 0.539429 0.532745 S\n0.283449 0.460571 0.467255 S\n0.216551 0.960571 0.467255 S\n0.783449 0.039429 0.532745 S\n0.344776 0.752974 0.227714 S\n0.655224 0.247026 0.772286 S\n0.844776 0.747026 0.772286 S\n0.155224 0.252974 0.227714 S\n0.793762 0.542021 0.025173 S\n0.206238 0.457979 0.974827 S\n0.293762 0.957979 0.974827 S\n0.706238 0.042021 0.025173 S\n0.841655 0.847835 0.288233 S\n0.158345 0.152165 0.711766 S\n0.341655 0.652165 0.711766 S\n0.658345 0.347835 0.288233 S\n0.599608 0.644577 0.583172 N\n0.400392 0.355423 0.416828 N\n0.099608 0.855423 0.416828 N\n0.900392 0.144577 0.583172 N\n0.587953 0.934060 0.058252 N\n0.412047 0.065940 0.941748 N\n0.087953 0.565940 0.941748 N\n0.912047 0.434060 0.058252 N\n0.665512 0.831410 0.233777 N\n0.334488 0.168590 0.766223 N\n0.165512 0.668590 0.766223 N\n0.834488 0.331410 0.233777 N\n0.592362 0.546903 0.465637 N\n0.407638 0.453097 0.534363 N\n0.092362 0.953097 0.534363 N\n0.907638 0.046903 0.465637 N\n0.680683 0.734376 0.750055 N\n0.319317 0.265624 0.249945 N\n0.180683 0.765624 0.249945 N\n0.819317 0.234376 0.750055 N\n0.416062 0.959393 0.059113 N\n0.583938 0.040607 0.940887 N\n0.916062 0.540607 0.940887 N\n0.083938 0.459393 0.059113 N\n0.923359 0.506044 0.493566 O\n0.076641 0.493956 0.506434 O\n0.423359 0.993956 0.506434 O\n0.576641 0.006044 0.493566 O\n0.501326 0.695774 0.286336 O\n0.498674 0.304226 0.713664 O\n0.001326 0.804226 0.713664 O\n0.998674 0.195774 0.286336 O\n0.581514 0.495094 0.004086 O\n0.418486 0.504906 0.995914 O\n0.081514 0.004906 0.995914 O\n0.918486 0.995094 0.004086 O\n0.995619 0.742841 0.242817 O\n0.004381 0.257159 0.757183 O\n0.495619 0.757159 0.757183 O\n0.504381 0.242841 0.242817 O\n",
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"formula_full": "Na8 H48 C16 S16 N24 O16",
"formula_reduced": "NaH6C2S2N3O2",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:40:19.070045Z",
"structure_string": "Tm2 Co4\n1.0\n0.000000 3.552492 3.552492\n3.552492 0.000000 3.552492\n3.552492 3.552492 0.000000\nTm Co\n2 4\ndirect\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Tm\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n",
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{
"id": "mp-558702",
"created_at": "2022-09-04T14:40:03.180282Z",
"structure_string": "Cs6 Mn6 F18\n1.0\n3.165280 -5.482426 0.000000\n3.165280 5.482426 0.000000\n0.000000 0.000000 15.382991\nCs Mn F\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Cs\n0.000000 0.000000 0.750000 Cs\n0.333333 0.666667 0.097619 Cs\n0.666667 0.333333 0.597619 Cs\n0.666667 0.333333 0.902381 Cs\n0.333333 0.666667 0.402381 Cs\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.651818 Mn\n0.666667 0.333333 0.151818 Mn\n0.666667 0.333333 0.348182 Mn\n0.333333 0.666667 0.848182 Mn\n0.000000 0.000000 0.500000 Mn\n0.330846 0.165423 0.079260 F\n0.834577 0.165423 0.420740 F\n0.834577 0.669154 0.420740 F\n0.330846 0.165423 0.420740 F\n0.669154 0.834577 0.920740 F\n0.165423 0.330846 0.579260 F\n0.522470 0.044940 0.250000 F\n0.477530 0.522470 0.750000 F\n0.044940 0.522470 0.750000 F\n0.955060 0.477530 0.250000 F\n0.522470 0.477530 0.250000 F\n0.477530 0.955060 0.750000 F\n0.834577 0.669154 0.079260 F\n0.165423 0.834577 0.579260 F\n0.669154 0.834577 0.579260 F\n0.165423 0.330846 0.920740 F\n0.834577 0.165423 0.079260 F\n0.165423 0.834577 0.920740 F\n",
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{
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{
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"structure_string": "Yb1 Tl2 Cd1\n1.0\n0.000000 3.767699 3.767699\n3.767699 0.000000 3.767699\n3.767699 3.767699 0.000000\nYb Tl Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.500000 0.500000 0.500000 Cd\n",
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"density": 10.776708157784894,
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"formula_full": "Yb1 Tl2 Cd1",
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{
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