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{
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"structure_string": "Th1 Bi1 Au2\n1.0\n0.000000 3.676115 3.676115\n3.676115 0.000000 3.676115\n3.676115 3.676115 0.000000\nTh Bi Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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{
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{
"id": "mp-31064",
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"structure_string": "B12 H20 N2\n1.0\n0.000000 5.497930 5.497930\n5.497930 0.000000 5.497930\n5.497930 5.497930 0.000000\nB H N\n12 20 2\ndirect\n0.050490 0.949510 0.211738 B\n0.211738 0.788262 0.050490 B\n0.949510 0.050490 0.788262 B\n0.788262 0.949510 0.050490 B\n0.788262 0.050490 0.211738 B\n0.949510 0.788262 0.211738 B\n0.211738 0.949510 0.788262 B\n0.050490 0.788262 0.949510 B\n0.211738 0.050490 0.949510 B\n0.050490 0.211738 0.788262 B\n0.949510 0.211738 0.050490 B\n0.788262 0.211738 0.949510 B\n0.195713 0.195713 0.412860 H\n0.195713 0.195713 0.195713 H\n0.412860 0.195713 0.195713 H\n0.195713 0.412860 0.195713 H\n0.804287 0.804287 0.587140 H\n0.804287 0.804287 0.804287 H\n0.587140 0.804287 0.804287 H\n0.804287 0.587140 0.804287 H\n0.087363 0.912637 0.362093 H\n0.362093 0.637907 0.087363 H\n0.912637 0.087363 0.637907 H\n0.637907 0.912637 0.087363 H\n0.637907 0.087363 0.362093 H\n0.912637 0.637907 0.362093 H\n0.637907 0.362093 0.912637 H\n0.912637 0.362093 0.087363 H\n0.087363 0.362093 0.637907 H\n0.362093 0.087363 0.912637 H\n0.087363 0.637907 0.912637 H\n0.362093 0.912637 0.637907 H\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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"formula_full": "B12 H20 N2",
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{
"id": "mp-1209527",
"created_at": "2022-09-04T14:48:28.034706Z",
"structure_string": "Pr12 Sn24 Pd16\n1.0\n4.641355 0.000000 0.000000\n0.000000 15.843740 0.000000\n0.000000 0.000000 16.958575\nPr Sn Pd\n12 24 16\ndirect\n0.250000 0.752684 0.384668 Pr\n0.750000 0.247316 0.615332 Pr\n0.750000 0.252684 0.115332 Pr\n0.250000 0.747316 0.884668 Pr\n0.250000 0.618832 0.642823 Pr\n0.750000 0.381168 0.357177 Pr\n0.750000 0.118832 0.857177 Pr\n0.250000 0.881168 0.142823 Pr\n0.250000 0.016251 0.350109 Pr\n0.750000 0.983749 0.649891 Pr\n0.750000 0.516251 0.149891 Pr\n0.250000 0.483749 0.850109 Pr\n0.250000 0.539224 0.449605 Sn\n0.750000 0.460776 0.550395 Sn\n0.750000 0.039224 0.050395 Sn\n0.250000 0.960776 0.949605 Sn\n0.250000 0.106019 0.170331 Sn\n0.750000 0.893981 0.829669 Sn\n0.750000 0.606019 0.329669 Sn\n0.250000 0.393981 0.670331 Sn\n0.250000 0.379288 0.206520 Sn\n0.750000 0.620712 0.793480 Sn\n0.750000 0.879288 0.293480 Sn\n0.250000 0.120712 0.706520 Sn\n0.250000 0.229993 0.442885 Sn\n0.750000 0.770007 0.557115 Sn\n0.750000 0.729993 0.057115 Sn\n0.250000 0.270007 0.942885 Sn\n0.250000 0.580110 0.025634 Sn\n0.750000 0.419890 0.974366 Sn\n0.750000 0.080110 0.474366 Sn\n0.250000 0.919890 0.525634 Sn\n0.250000 0.662324 0.189569 Sn\n0.750000 0.337676 0.810431 Sn\n0.750000 0.162324 0.310431 Sn\n0.250000 0.837676 0.689569 Sn\n0.250000 0.399959 0.047657 Pd\n0.750000 0.600041 0.952343 Pd\n0.750000 0.899959 0.452343 Pd\n0.250000 0.100041 0.547657 Pd\n0.250000 0.233143 0.282211 Pd\n0.750000 0.766857 0.717789 Pd\n0.750000 0.733143 0.217789 Pd\n0.250000 0.266857 0.782211 Pd\n0.250000 0.121839 0.009540 Pd\n0.750000 0.878161 0.990460 Pd\n0.750000 0.621839 0.490460 Pd\n0.250000 0.378161 0.509540 Pd\n0.250000 0.525200 0.292040 Pd\n0.750000 0.474800 0.707960 Pd\n0.750000 0.025200 0.207960 Pd\n0.250000 0.974800 0.792040 Pd\n",
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"formula_full": "Pr12 Sn24 Pd16",
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"spacegroup": 62
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{
"id": "mp-1556",
"created_at": "2022-09-04T14:48:28.032801Z",
"structure_string": "Pu1 Te1\n1.0\n0.000000 3.148807 3.148807\n3.148807 0.000000 3.148807\n3.148807 3.148807 0.000000\nPu Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Te\n",
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"spacegroup": 225
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{
"id": "mp-1026778",
"created_at": "2022-09-04T14:48:28.028612Z",
"structure_string": "Ce1 Mg14 Ti1\n1.0\n6.518959 0.168672 0.000017\n-3.113373 5.392041 -0.000018\n0.000004 0.000018 10.425410\nCe Mg Ti\n1 14 1\ndirect\n0.155091 0.827600 0.124999 Ce\n0.162397 0.331194 0.625000 Mg\n0.165041 0.832525 0.625001 Mg\n0.654993 0.331216 0.125000 Mg\n0.663611 0.329995 0.625000 Mg\n0.654963 0.823865 0.125000 Mg\n0.663638 0.833652 0.625000 Mg\n0.338135 0.173240 0.378810 Mg\n0.338132 0.173240 0.871190 Mg\n0.338123 0.664794 0.378779 Mg\n0.338124 0.664792 0.871220 Mg\n0.844931 0.172505 0.365587 Mg\n0.844929 0.172507 0.884413 Mg\n0.833215 0.666611 0.383462 Mg\n0.833212 0.666613 0.866538 Mg\n0.171466 0.335650 0.125001 Ti\n",
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{
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"structure_string": "Sr6 Ni2 Ir2 O12\n1.0\n6.734991 0.014705 -0.216964\n-0.224539 6.731264 -0.216964\n0.014192 0.014705 6.738470\nSr Ni Ir O\n6 2 2 12\ndirect\n0.749999 0.386374 0.113626 Sr\n0.613625 0.886374 0.250000 Sr\n0.113626 0.750000 0.386374 Sr\n0.250000 0.613626 0.886373 Sr\n0.886374 0.250001 0.613627 Sr\n0.386374 0.113626 0.750000 Sr\n0.750001 0.750000 0.750000 Ni\n0.250000 0.249999 0.250000 Ni\n0.500000 0.500000 0.499999 Ir\n0.000000 0.000000 0.000000 Ir\n0.787694 0.591144 0.464241 O\n0.591143 0.464240 0.787694 O\n0.464241 0.787693 0.591144 O\n0.035759 0.908857 0.712306 O\n0.908857 0.712307 0.035758 O\n0.712307 0.035759 0.908857 O\n0.212307 0.408857 0.535759 O\n0.408856 0.535759 0.212307 O\n0.535758 0.212306 0.408856 O\n0.964241 0.091143 0.287693 O\n0.287693 0.964241 0.091143 O\n0.091144 0.287694 0.964241 O\n",
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{
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"structure_string": "K1 Rb2 Sc1 F6\n1.0\n-3.208500 3.208500 4.646601\n3.208500 -3.208500 4.646601\n3.208500 3.208500 -4.646601\nK Rb Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.159696 0.275281 0.434976 F\n0.724719 0.159696 0.884415 F\n0.275281 0.840304 0.115585 F\n0.840304 0.724719 0.565024 F\n0.779771 0.779771 0.000000 F\n0.220229 0.220229 0.000000 F\n",
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"volume": 191.33722020528901,
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"formula_full": "K1 Rb2 Sc1 F6",
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{
"id": "mp-1238793",
"created_at": "2022-09-04T14:48:28.020308Z",
"structure_string": "Cs2 Hf1 Br6\n1.0\n0.000000 5.572002 5.572002\n5.572002 0.000000 5.572002\n5.572002 5.572002 0.000000\nCs Hf Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Hf\n0.764317 0.235683 0.764317 Br\n0.235683 0.235683 0.764317 Br\n0.764317 0.764317 0.235683 Br\n0.235683 0.764317 0.235683 Br\n0.235683 0.764317 0.764317 Br\n0.764317 0.235683 0.235683 Br\n",
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"volume": 345.99019106234175,
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{
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"created_at": "2022-09-04T14:48:28.011051Z",
"structure_string": "Li8 Fe4 C4 O20\n1.0\n2.914538 0.000000 0.000000\n0.000000 9.340872 0.000000\n0.000000 0.000000 12.292316\nLi Fe C O\n8 4 4 20\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.007595 0.779872 Li\n0.000000 0.492405 0.279872 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.507595 0.720128 Li\n0.000000 0.992405 0.220128 Li\n0.500000 0.245512 0.613338 Fe\n0.500000 0.254488 0.113338 Fe\n0.500000 0.745512 0.886662 Fe\n0.500000 0.754488 0.386662 Fe\n0.500000 0.229012 0.361244 C\n0.500000 0.270988 0.861244 C\n0.500000 0.729012 0.138756 C\n0.500000 0.770988 0.638756 C\n0.000000 0.119919 0.642229 O\n0.000000 0.125818 0.080468 O\n0.500000 0.134410 0.861011 O\n0.500000 0.155751 0.270313 O\n0.500000 0.155068 0.451820 O\n0.500000 0.344932 0.951820 O\n0.500000 0.344249 0.770313 O\n0.500000 0.365590 0.361011 O\n0.000000 0.374182 0.580468 O\n0.000000 0.380081 0.142229 O\n0.000000 0.619919 0.857771 O\n0.000000 0.625818 0.419532 O\n0.500000 0.634410 0.638989 O\n0.500000 0.655751 0.229687 O\n0.500000 0.655068 0.048180 O\n0.500000 0.844932 0.548180 O\n0.500000 0.844249 0.729687 O\n0.500000 0.865590 0.138989 O\n0.000000 0.874182 0.919532 O\n0.000000 0.880081 0.357771 O\n",
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{
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],
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"formula_full": "Na1 Sr1 Hf1 Nb1 O6",
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{
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}