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{
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"structure_string": "Ce4 Mg4 Sn4\n1.0\n4.645483 0.000000 0.000000\n0.000000 7.729176 0.000000\n0.000000 0.000000 9.099677\nCe Mg Sn\n4 4 4\ndirect\n0.250000 0.019210 0.318214 Ce\n0.250000 0.519210 0.181786 Ce\n0.750000 0.980790 0.681786 Ce\n0.750000 0.480790 0.818214 Ce\n0.250000 0.155647 0.931407 Mg\n0.250000 0.655647 0.568593 Mg\n0.750000 0.844353 0.068593 Mg\n0.750000 0.344353 0.431407 Mg\n0.250000 0.271654 0.612653 Sn\n0.250000 0.771654 0.887347 Sn\n0.750000 0.728346 0.387347 Sn\n0.750000 0.228346 0.112653 Sn\n",
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{
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"structure_string": "Ca4 V4 Si16 H48 O44\n1.0\n9.769666 0.000000 0.000000\n0.000000 10.236969 0.000000\n0.000000 0.000000 14.087541\nCa V Si H O\n4 4 16 48 44\ndirect\n0.116694 0.154001 0.250000 Ca\n0.883306 0.845999 0.750000 Ca\n0.616694 0.345999 0.750000 Ca\n0.383306 0.654001 0.250000 Ca\n0.089690 0.479440 0.250000 V\n0.910310 0.520560 0.750000 V\n0.589690 0.020560 0.750000 V\n0.410310 0.979440 0.250000 V\n0.314282 0.103870 0.043772 Si\n0.685718 0.896130 0.956228 Si\n0.814282 0.396130 0.956228 Si\n0.685718 0.896130 0.543772 Si\n0.185718 0.603870 0.043772 Si\n0.314282 0.103870 0.456228 Si\n0.185718 0.603870 0.456228 Si\n0.814282 0.396130 0.543772 Si\n0.105721 0.326574 0.037034 Si\n0.894279 0.673426 0.962966 Si\n0.605721 0.173426 0.962966 Si\n0.894279 0.673426 0.537034 Si\n0.394279 0.826574 0.037034 Si\n0.105721 0.326574 0.462966 Si\n0.394279 0.826574 0.462966 Si\n0.605721 0.173426 0.537034 Si\n0.441614 0.375962 0.153694 H\n0.558386 0.624038 0.846306 H\n0.941614 0.124038 0.846306 H\n0.558386 0.624038 0.653694 H\n0.058386 0.875962 0.153694 H\n0.441614 0.375962 0.346306 H\n0.058386 0.875962 0.346306 H\n0.941614 0.124038 0.653694 H\n0.399405 0.373885 0.625211 H\n0.600595 0.626115 0.374789 H\n0.899405 0.126115 0.374789 H\n0.600595 0.626115 0.125211 H\n0.100595 0.873885 0.625211 H\n0.399405 0.373885 0.874789 H\n0.100595 0.873885 0.874789 H\n0.899405 0.126115 0.125211 H\n0.584203 0.554164 0.125819 H\n0.415797 0.445836 0.874181 H\n0.084203 0.945836 0.874181 H\n0.415797 0.445836 0.625819 H\n0.915797 0.054164 0.125819 H\n0.584203 0.554164 0.374181 H\n0.915797 0.054164 0.374181 H\n0.084203 0.945836 0.625819 H\n0.957552 0.100906 0.603098 H\n0.042448 0.899094 0.396902 H\n0.457552 0.399094 0.396902 H\n0.042448 0.899094 0.103098 H\n0.542448 0.600906 0.603098 H\n0.957552 0.100906 0.896902 H\n0.542448 0.600906 0.896902 H\n0.457552 0.399094 0.103098 H\n0.400947 0.325005 0.250000 H\n0.599053 0.674995 0.750000 H\n0.900947 0.174995 0.750000 H\n0.099053 0.825005 0.250000 H\n0.742450 0.164771 0.250000 H\n0.257550 0.835229 0.750000 H\n0.242450 0.335229 0.750000 H\n0.757550 0.664771 0.250000 H\n0.773838 0.232381 0.250000 H\n0.226162 0.767619 0.750000 H\n0.273838 0.267619 0.750000 H\n0.726162 0.732381 0.250000 H\n0.744666 0.415109 0.250000 H\n0.255334 0.584891 0.750000 H\n0.244666 0.084891 0.750000 H\n0.755334 0.915109 0.250000 H\n0.095675 0.331124 0.153080 O\n0.904325 0.668876 0.846920 O\n0.595675 0.168876 0.846920 O\n0.904325 0.668876 0.653080 O\n0.404325 0.831124 0.153080 O\n0.095675 0.331124 0.346920 O\n0.404325 0.831124 0.346920 O\n0.595675 0.168876 0.653080 O\n0.686520 0.043445 0.003048 O\n0.313480 0.956555 0.996952 O\n0.186520 0.456555 0.996952 O\n0.313480 0.956555 0.503048 O\n0.813480 0.543445 0.003048 O\n0.686520 0.043445 0.496952 O\n0.813480 0.543445 0.496952 O\n0.186520 0.456555 0.503048 O\n0.184148 0.190968 0.494827 O\n0.815852 0.809032 0.505173 O\n0.684148 0.309032 0.505173 O\n0.815852 0.809032 0.994827 O\n0.315852 0.690968 0.494827 O\n0.184148 0.190968 0.005173 O\n0.315852 0.690968 0.005173 O\n0.684148 0.309032 0.994827 O\n0.454038 0.179799 0.011638 O\n0.545962 0.820201 0.988362 O\n0.954038 0.320201 0.988362 O\n0.545962 0.820201 0.511638 O\n0.045962 0.679799 0.011638 O\n0.454038 0.179799 0.488362 O\n0.045962 0.679799 0.488362 O\n0.954038 0.320201 0.511638 O\n0.298706 0.087533 0.158365 O\n0.701294 0.912467 0.841635 O\n0.798706 0.412467 0.841635 O\n0.701294 0.912467 0.658365 O\n0.201294 0.587533 0.158365 O\n0.298706 0.087533 0.341635 O\n0.201294 0.587533 0.341635 O\n0.798706 0.412467 0.658365 O\n0.567142 0.033731 0.250000 O\n0.432858 0.966269 0.750000 O\n0.067142 0.466269 0.750000 O\n0.932858 0.533731 0.250000 O\n",
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"formula_full": "Ca4 V4 Si16 H48 O44",
"formula_reduced": "CaVSi4H12O11",
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"spacegroup": 62
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{
"id": "mp-752492",
"created_at": "2022-09-04T14:42:43.845870Z",
"structure_string": "Mn4 O3 F5\n1.0\n-3.126542 3.218764 3.614696\n3.126542 -3.218764 3.614696\n3.126542 3.218764 -3.614696\nMn O F\n4 3 5\ndirect\n0.507807 0.758867 0.266674 Mn\n0.507807 0.241133 0.748940 Mn\n0.977570 0.500000 0.477570 Mn\n0.008550 0.000000 0.008550 Mn\n0.680859 0.500000 0.180859 O\n0.707632 0.000000 0.707632 O\n0.311756 0.000000 0.311756 O\n0.809384 0.057500 0.249052 F\n0.809384 0.560332 0.751884 F\n0.296149 0.500000 0.796149 F\n0.191552 0.439668 0.249052 F\n0.191552 0.942500 0.751884 F\n",
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{
"id": "mp-1203227",
"created_at": "2022-09-04T14:42:47.159008Z",
"structure_string": "Gd16 C8 Cl12\n1.0\n3.706976 0.000000 0.000000\n0.000000 10.694477 0.000000\n0.000000 0.000000 19.947072\nGd C Cl\n16 8 12\ndirect\n0.250000 0.139316 0.572342 Gd\n0.250000 0.639316 0.927658 Gd\n0.750000 0.860684 0.427658 Gd\n0.750000 0.360684 0.072342 Gd\n0.250000 0.637971 0.756388 Gd\n0.250000 0.137971 0.743612 Gd\n0.750000 0.362029 0.243612 Gd\n0.750000 0.862029 0.256388 Gd\n0.250000 0.100274 0.331550 Gd\n0.250000 0.600274 0.168450 Gd\n0.750000 0.899726 0.668450 Gd\n0.750000 0.399726 0.831550 Gd\n0.250000 0.123769 0.163337 Gd\n0.250000 0.623769 0.336663 Gd\n0.750000 0.876231 0.836663 Gd\n0.750000 0.376231 0.663337 Gd\n0.250000 0.863579 0.348716 C\n0.250000 0.363579 0.151284 C\n0.750000 0.136421 0.651284 C\n0.750000 0.636421 0.848716 C\n0.250000 0.388700 0.749192 C\n0.250000 0.888700 0.750808 C\n0.750000 0.611300 0.250808 C\n0.750000 0.111300 0.249192 C\n0.250000 0.379962 0.951717 Cl\n0.250000 0.879962 0.548283 Cl\n0.750000 0.620038 0.048283 Cl\n0.750000 0.120038 0.451717 Cl\n0.250000 0.887593 0.946625 Cl\n0.250000 0.387593 0.553375 Cl\n0.750000 0.112407 0.053375 Cl\n0.750000 0.612407 0.446625 Cl\n0.250000 0.360053 0.355227 Cl\n0.250000 0.860053 0.144773 Cl\n0.750000 0.639947 0.644773 Cl\n0.750000 0.139947 0.855227 Cl\n",
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{
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{
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"structure_string": "V8 Zn12 Ge12 O48\n1.0\n-6.091481 6.091481 6.091481\n6.091481 -6.091481 6.091481\n6.091481 6.091481 -6.091481\nV Zn Ge O\n8 12 12 48\ndirect\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.250000 0.875000 0.625000 Zn\n0.750000 0.625000 0.875000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.750000 0.125000 0.375000 Zn\n0.250000 0.375000 0.125000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.250000 0.375000 Zn\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.418790 0.817229 0.791764 O\n0.872975 0.398440 0.081210 O\n0.101560 0.974535 0.682771 O\n0.525465 0.627025 0.708236 O\n0.682771 0.081210 0.708236 O\n0.627025 0.708236 0.525465 O\n0.627025 0.418790 0.101560 O\n0.708236 0.525465 0.627025 O\n0.817229 0.525465 0.398440 O\n0.974535 0.791764 0.872975 O\n0.791764 0.872975 0.974535 O\n0.708236 0.682771 0.081210 O\n0.418790 0.101560 0.627025 O\n0.398440 0.817229 0.525465 O\n0.081210 0.708236 0.682771 O\n0.101560 0.627025 0.418790 O\n0.525465 0.398440 0.817229 O\n0.081210 0.872975 0.398440 O\n0.974535 0.682771 0.101560 O\n0.182771 0.474535 0.601560 O\n0.682771 0.101560 0.974535 O\n0.791764 0.418790 0.817229 O\n0.398440 0.081210 0.872975 O\n0.872975 0.974535 0.791764 O\n0.581210 0.182771 0.208236 O\n0.127025 0.601560 0.918790 O\n0.898440 0.025465 0.317229 O\n0.474535 0.372975 0.291764 O\n0.317229 0.918790 0.291764 O\n0.372975 0.291764 0.474535 O\n0.372975 0.581210 0.898440 O\n0.291764 0.474535 0.372975 O\n0.127025 0.025465 0.208236 O\n0.601560 0.918790 0.127025 O\n0.208236 0.581210 0.182771 O\n0.182771 0.208236 0.581210 O\n0.317229 0.898440 0.025465 O\n0.025465 0.317229 0.898440 O\n0.918790 0.127025 0.601560 O\n0.474535 0.601560 0.182771 O\n0.898440 0.372975 0.581210 O\n0.918790 0.291764 0.317229 O\n0.601560 0.182771 0.474535 O\n0.581210 0.898440 0.372975 O\n0.291764 0.317229 0.918790 O\n0.208236 0.127025 0.025465 O\n0.025465 0.208236 0.127025 O\n0.817229 0.791764 0.418790 O\n",
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{
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"structure_string": "Mg2 Cu1 As2\n1.0\n9.960882 0.000000 0.000000\n0.000000 9.960882 0.000000\n0.000000 0.000000 31.266334\nMg Cu As\n2 1 2\ndirect\n0.500000 0.500000 0.250085 Mg\n0.500000 0.500000 0.749915 Mg\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.665107 As\n0.500000 0.500000 0.334893 As\n",
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{
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}