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{
"id": "mp-1228423",
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"structure_string": "Ba8 Ti3 Co1 Si8 O32\n1.0\n12.173425 0.000000 0.000000\n0.000000 12.173425 0.000000\n0.000000 0.000000 5.322131\nBa Ti Co Si O\n8 3 1 8 32\ndirect\n0.750413 0.422998 0.996707 Ba\n0.250104 0.922946 0.999045 Ba\n0.249587 0.577002 0.996707 Ba\n0.749896 0.077054 0.999045 Ba\n0.922946 0.749896 0.999045 Ba\n0.422998 0.249587 0.996707 Ba\n0.077054 0.250104 0.999045 Ba\n0.577002 0.750413 0.996707 Ba\n0.000000 0.500000 0.539027 Ti\n0.500000 0.000000 0.539027 Ti\n0.000000 0.000000 0.538872 Ti\n0.500000 0.500000 0.543335 Co\n0.748445 0.620923 0.515521 Si\n0.250072 0.121938 0.515625 Si\n0.251555 0.379077 0.515521 Si\n0.749928 0.878062 0.515625 Si\n0.121938 0.749928 0.515625 Si\n0.620923 0.251555 0.515521 Si\n0.878062 0.250072 0.515625 Si\n0.379077 0.748445 0.515521 Si\n0.000000 0.500000 0.218252 O\n0.500000 0.000000 0.218252 O\n0.000000 0.000000 0.218250 O\n0.500000 0.500000 0.221734 O\n0.748601 0.623191 0.214191 O\n0.249944 0.123695 0.214361 O\n0.251399 0.376809 0.214191 O\n0.750056 0.876305 0.214361 O\n0.123695 0.750056 0.214361 O\n0.623191 0.251399 0.214191 O\n0.876305 0.249944 0.214361 O\n0.376809 0.748601 0.214191 O\n0.641409 0.563438 0.649617 O\n0.142435 0.064542 0.647006 O\n0.358591 0.436562 0.649617 O\n0.857565 0.935458 0.647006 O\n0.064399 0.642343 0.647038 O\n0.564426 0.143024 0.646010 O\n0.935601 0.357657 0.647038 O\n0.435574 0.856976 0.646010 O\n0.935458 0.142435 0.647006 O\n0.436562 0.641409 0.649617 O\n0.064542 0.857565 0.647006 O\n0.563438 0.358591 0.649617 O\n0.856976 0.564426 0.646010 O\n0.357657 0.064399 0.647038 O\n0.143024 0.435574 0.646010 O\n0.642343 0.935601 0.647038 O\n0.749689 0.749650 0.632032 O\n0.250311 0.250350 0.632032 O\n0.749650 0.250311 0.632032 O\n0.250350 0.749689 0.632032 O\n",
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{
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"created_at": "2022-09-04T14:40:13.617294Z",
"structure_string": "K4 Sb8 S14 O2\n1.0\n7.327004 0.000000 0.000000\n2.068653 9.416375 0.000000\n0.743483 2.036474 11.431609\nK Sb S O\n4 8 14 2\ndirect\n0.415350 0.298752 0.561036 K\n0.584650 0.701248 0.438964 K\n0.710111 0.346096 0.892768 K\n0.289889 0.653904 0.107232 K\n0.258581 0.127707 0.953681 Sb\n0.741419 0.872293 0.046319 Sb\n0.140436 0.561329 0.813302 Sb\n0.859564 0.438671 0.186698 Sb\n0.497782 0.817743 0.767917 Sb\n0.502218 0.182257 0.232083 Sb\n0.956407 0.951516 0.654505 Sb\n0.043593 0.048484 0.345495 Sb\n0.953862 0.695004 0.640239 S\n0.046138 0.304996 0.359761 S\n0.446738 0.574336 0.712838 S\n0.553262 0.425664 0.287162 S\n0.181331 0.868205 0.855243 S\n0.818669 0.131795 0.144757 S\n0.666844 0.673573 0.947726 S\n0.333156 0.326427 0.052274 S\n0.111615 0.322815 0.773550 S\n0.888385 0.677185 0.226450 S\n0.558218 0.073830 0.848622 S\n0.441782 0.926170 0.151378 S\n0.238034 0.987722 0.540304 S\n0.761966 0.012278 0.459696 S\n0.736745 0.414459 0.535939 O\n0.263255 0.585541 0.464061 O\n",
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"spacegroup": 2
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{
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"structure_string": "K6 Gd2 H12 C12 O30\n1.0\n8.644784 0.000000 0.000000\n-1.106109 9.403358 0.000000\n-0.315837 -1.403308 9.702828\nK Gd H C O\n6 2 12 12 30\ndirect\n0.711972 0.856874 0.887066 K\n0.288028 0.143126 0.112934 K\n0.949828 0.680803 0.612046 K\n0.050172 0.319197 0.387954 K\n0.650944 0.211400 0.699549 K\n0.349056 0.788600 0.300451 K\n0.773980 0.638864 0.216851 Gd\n0.226020 0.361136 0.783149 Gd\n0.740644 0.882698 0.466911 H\n0.259356 0.117302 0.533089 H\n0.635411 0.745519 0.493864 H\n0.364589 0.254481 0.506136 H\n0.612647 0.000664 0.212402 H\n0.387353 0.999336 0.787598 H\n0.575263 0.123675 0.324803 H\n0.424737 0.876325 0.675197 H\n0.856591 0.140755 0.042355 H\n0.143409 0.859245 0.957645 H\n0.725397 0.234049 0.017032 H\n0.274603 0.765951 0.982968 H\n0.526252 0.423847 0.998425 C\n0.473748 0.576153 0.001575 C\n0.033204 0.460142 0.056302 C\n0.966796 0.539858 0.943698 C\n0.932044 0.969270 0.212174 C\n0.067956 0.030730 0.787826 C\n0.035880 0.914845 0.322635 C\n0.964120 0.085155 0.677365 C\n0.678031 0.386243 0.395929 C\n0.321969 0.613757 0.604071 C\n0.514121 0.422841 0.349235 C\n0.485879 0.577159 0.650765 C\n0.649111 0.413904 0.067956 O\n0.350889 0.586096 0.932044 O\n0.558223 0.680731 0.073313 O\n0.441777 0.319269 0.926687 O\n0.983794 0.487928 0.176738 O\n0.016206 0.512072 0.823262 O\n0.869411 0.625588 0.979531 O\n0.130589 0.374412 0.020469 O\n0.811842 0.882869 0.164128 O\n0.188158 0.117131 0.835872 O\n0.002070 0.782710 0.338155 O\n0.997930 0.217290 0.661845 O\n0.791223 0.486640 0.394583 O\n0.208777 0.513360 0.605417 O\n0.515632 0.540598 0.301157 O\n0.484368 0.459402 0.698843 O\n0.972638 0.090986 0.178182 O\n0.027362 0.909014 0.821818 O\n0.145498 0.001858 0.383338 O\n0.854502 0.998142 0.616662 O\n0.691247 0.265251 0.430580 O\n0.308753 0.734749 0.569420 O\n0.394557 0.335875 0.362068 O\n0.605443 0.664125 0.637932 O\n0.677774 0.796454 0.417658 O\n0.322226 0.203546 0.582342 O\n0.525356 0.044402 0.254298 O\n0.474644 0.955598 0.745702 O\n0.777217 0.154525 0.971162 O\n0.222783 0.845475 0.028838 O\n",
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"formula_full": "K6 Gd2 H12 C12 O30",
"formula_reduced": "K3GdH6(C2O5)3",
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{
"id": "mp-1093692",
"created_at": "2022-09-04T14:44:25.288164Z",
"structure_string": "Li2 Si1 Au1\n1.0\n-5.086433 5.239366 7.399403\n5.086433 -5.239366 7.399403\n5.086433 5.239366 -7.399403\nLi Si Au\n2 1 1\ndirect\n0.000000 0.255713 0.255713 Li\n0.000000 0.744287 0.744287 Li\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Au\n",
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"formula_full": "Li2 Si1 Au1",
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{
"id": "mp-675690",
"created_at": "2022-09-04T14:47:11.618048Z",
"structure_string": "Ba12 Pt6 Au6\n1.0\n4.849857 0.000000 0.000000\n0.000000 12.070319 0.000000\n0.000000 0.000000 13.474307\nBa Pt Au\n12 6 6\ndirect\n0.000000 0.132403 0.579151 Ba\n0.500000 0.357531 0.412078 Ba\n0.000000 0.632403 0.420849 Ba\n0.000000 0.141696 0.254700 Ba\n0.500000 0.866811 0.244357 Ba\n0.500000 0.363977 0.082231 Ba\n0.000000 0.638815 0.084096 Ba\n0.000000 0.138815 0.915904 Ba\n0.500000 0.863977 0.917769 Ba\n0.500000 0.366811 0.755643 Ba\n0.000000 0.641696 0.745300 Ba\n0.500000 0.857531 0.587922 Ba\n0.500000 0.574619 0.583490 Pt\n0.500000 0.074619 0.416510 Pt\n0.000000 0.424442 0.251022 Pt\n0.000000 0.925421 0.084055 Pt\n0.000000 0.425421 0.915945 Pt\n0.000000 0.924442 0.748978 Pt\n0.000000 0.923368 0.415389 Au\n0.500000 0.574260 0.249679 Au\n0.500000 0.076597 0.082134 Au\n0.500000 0.576597 0.917866 Au\n0.500000 0.074260 0.750321 Au\n0.000000 0.423368 0.584611 Au\n",
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{
"id": "mp-1097514",
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"structure_string": "Mg1 Al1 Ni2\n1.0\n-4.770156 5.331200 7.754839\n4.770156 -5.331200 7.754839\n4.770156 5.331200 -7.754839\nMg Al Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n0.000000 0.266540 0.266540 Ni\n0.000000 0.733460 0.733460 Ni\n",
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{
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"structure_string": "Mn39 In13\n1.0\n6.527734 -6.539382 0.000000\n6.527734 6.539382 0.000000\n-0.023317 0.000000 9.239821\nMn In\n39 13\ndirect\n0.847008 0.847008 0.847008 Mn\n0.836908 0.160212 0.160212 Mn\n0.160212 0.160212 0.836908 Mn\n0.160212 0.836908 0.160212 Mn\n0.595924 0.595924 0.595924 Mn\n0.588167 0.404812 0.404812 Mn\n0.404812 0.404812 0.588167 Mn\n0.404812 0.588167 0.404812 Mn\n0.495383 0.850406 0.495383 Mn\n0.495383 0.495383 0.850406 Mn\n0.850406 0.495383 0.495383 Mn\n0.499503 0.150561 0.499503 Mn\n0.499503 0.499503 0.150561 Mn\n0.150561 0.499503 0.499503 Mn\n0.028918 0.320657 0.320657 Mn\n0.320657 0.028918 0.320657 Mn\n0.320657 0.320657 0.028918 Mn\n0.067221 0.719911 0.719911 Mn\n0.286147 0.931120 0.705772 Mn\n0.286147 0.705772 0.931120 Mn\n0.931120 0.705772 0.286147 Mn\n0.705772 0.931120 0.286147 Mn\n0.719911 0.719911 0.067221 Mn\n0.931120 0.286147 0.705772 Mn\n0.719911 0.067221 0.719911 Mn\n0.705772 0.286147 0.931120 Mn\n0.330040 0.330040 0.330040 Mn\n0.344371 0.655825 0.655825 Mn\n0.655825 0.655825 0.344371 Mn\n0.655825 0.344371 0.655825 Mn\n0.993071 0.347283 0.993071 Mn\n0.993071 0.993071 0.347283 Mn\n0.347283 0.993071 0.993071 Mn\n0.999872 0.668997 0.999872 Mn\n0.999872 0.999872 0.668997 Mn\n0.668997 0.999872 0.999872 Mn\n0.100227 0.906246 0.906246 Mn\n0.906246 0.906246 0.100227 Mn\n0.906246 0.100227 0.906246 Mn\n0.547071 0.810724 0.810724 In\n0.810724 0.547071 0.810724 In\n0.810724 0.810724 0.547071 In\n0.541981 0.186913 0.186913 In\n0.799412 0.458054 0.179799 In\n0.799412 0.179799 0.458054 In\n0.458054 0.179799 0.799412 In\n0.179799 0.458054 0.799412 In\n0.186913 0.186913 0.541981 In\n0.458054 0.799412 0.179799 In\n0.186913 0.541981 0.186913 In\n0.179799 0.799412 0.458054 In\n0.128052 0.128052 0.128052 In\n",
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{
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"structure_string": "Zn1 Fe4 Cu10 Sn5 S20\n1.0\n5.432879 0.000000 0.000000\n0.000000 5.432879 0.000000\n-2.716439 -2.716439 26.727571\nZn Fe Cu Sn S\n1 4 10 5 20\ndirect\n0.400000 0.400000 0.800000 Zn\n0.000014 0.000014 0.000028 Fe\n0.600017 0.600017 0.200034 Fe\n0.199983 0.199983 0.399966 Fe\n0.799986 0.799986 0.599972 Fe\n0.550013 0.050013 0.100025 Cu\n0.150000 0.650000 0.300000 Cu\n0.749988 0.249988 0.499975 Cu\n0.349715 0.849715 0.699429 Cu\n0.950285 0.450285 0.900571 Cu\n0.050013 0.550013 0.100025 Cu\n0.650000 0.150000 0.300000 Cu\n0.249988 0.749988 0.499975 Cu\n0.849715 0.349715 0.699429 Cu\n0.450285 0.950285 0.900571 Cu\n0.500050 0.500050 0.000100 Sn\n0.100018 0.100018 0.200036 Sn\n0.699982 0.699982 0.399964 Sn\n0.299950 0.299950 0.599900 Sn\n0.900000 0.900000 0.800000 Sn\n0.806945 0.806945 0.147118 S\n0.406856 0.406856 0.347102 S\n0.007098 0.007098 0.547138 S\n0.614048 0.614048 0.746086 S\n0.207424 0.207424 0.947309 S\n0.340173 0.340173 0.147118 S\n0.940246 0.940246 0.347102 S\n0.540040 0.540040 0.547138 S\n0.132038 0.132038 0.746086 S\n0.739885 0.739885 0.947309 S\n0.792902 0.259960 0.052862 S\n0.393144 0.859754 0.252898 S\n0.993055 0.459827 0.452882 S\n0.592576 0.060115 0.652691 S\n0.185952 0.667962 0.853914 S\n0.259960 0.792902 0.052862 S\n0.859754 0.393144 0.252898 S\n0.459827 0.993055 0.452882 S\n0.060115 0.592576 0.652691 S\n0.667962 0.185952 0.853914 S\n",
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