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{
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{
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{
"id": "mp-1216573",
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"structure_string": "Tm1 Al1 Ni4\n1.0\n2.485546 -4.174145 0.000000\n2.485546 4.174145 0.000000\n0.000000 0.000000 4.019935\nTm Al Ni\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.500000 Al\n0.166485 0.833515 0.000000 Ni\n0.833515 0.166485 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
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{
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{
"id": "mp-1196312",
"created_at": "2022-09-04T14:46:35.883513Z",
"structure_string": "H36 C12 S8 N4 O12\n1.0\n6.362371 0.000000 0.000000\n2.031620 7.803821 0.000000\n0.382841 0.157897 17.421038\nH C S N O\n36 12 8 4 12\ndirect\n0.644487 0.247526 0.352156 H\n0.355513 0.752474 0.647844 H\n0.698871 0.300027 0.448811 H\n0.301129 0.699973 0.551189 H\n0.678818 0.085712 0.426715 H\n0.321182 0.914288 0.573285 H\n0.834435 0.600337 0.367734 H\n0.165565 0.399663 0.632266 H\n0.903077 0.641426 0.268605 H\n0.096923 0.358574 0.731395 H\n0.971480 0.424543 0.306786 H\n0.028520 0.575457 0.693214 H\n0.035735 0.824501 0.420407 H\n0.964265 0.175499 0.579593 H\n0.313489 0.819814 0.392710 H\n0.686511 0.180186 0.607290 H\n0.100214 0.876348 0.322656 H\n0.899786 0.123652 0.677344 H\n0.331393 0.070257 0.135292 H\n0.668607 0.929743 0.864708 H\n0.470670 0.889461 0.193246 H\n0.529330 0.110539 0.806754 H\n0.391556 0.101549 0.234824 H\n0.608444 0.898451 0.765176 H\n0.531830 0.309609 0.086272 H\n0.468170 0.690391 0.913728 H\n0.581609 0.348906 0.185436 H\n0.418391 0.651094 0.814564 H\n0.804170 0.305962 0.115965 H\n0.195830 0.694038 0.884035 H\n0.144023 0.732862 0.139602 H\n0.855977 0.267138 0.860398 H\n0.178128 0.573923 0.065289 H\n0.821872 0.426077 0.934711 H\n0.202266 0.788483 0.042206 H\n0.797734 0.211517 0.957794 H\n0.620682 0.222730 0.413287 C\n0.379318 0.777270 0.586713 C\n0.949503 0.560476 0.319649 C\n0.050497 0.439524 0.680351 C\n0.158414 0.799782 0.373998 C\n0.841586 0.200218 0.626002 C\n0.444163 0.027344 0.182471 C\n0.555837 0.972656 0.817529 C\n0.648493 0.280054 0.132960 C\n0.351507 0.719946 0.867040 C\n0.121660 0.710637 0.078795 C\n0.878340 0.289363 0.921205 C\n0.337101 0.281041 0.434827 S\n0.662899 0.718959 0.565173 S\n0.208038 0.581677 0.348805 S\n0.791962 0.418323 0.651195 S\n0.702023 0.058035 0.153103 S\n0.297977 0.941965 0.846897 S\n0.838933 0.771834 0.059908 S\n0.161067 0.228166 0.940092 S\n0.269912 0.489755 0.427955 N\n0.730088 0.510245 0.572045 N\n0.770636 0.979305 0.071993 N\n0.229364 0.020695 0.928007 N\n0.307578 0.240831 0.515357 O\n0.692422 0.759169 0.484643 O\n0.229135 0.200584 0.378525 O\n0.770865 0.799416 0.621475 O\n0.361571 0.542070 0.284033 O\n0.638429 0.457930 0.715967 O\n0.851923 0.010644 0.216781 O\n0.148077 0.989356 0.783219 O\n0.811601 0.744606 0.978958 O\n0.188399 0.255394 0.021042 O\n0.729361 0.682552 0.115122 O\n0.270639 0.317448 0.884878 O\n",
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"formula_full": "H36 C12 S8 N4 O12",
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{
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{
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{
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