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{
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"formula_full": "Sn34 O68",
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{
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{
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"structure_string": "Cs12 As4 O16\n1.0\n6.740911 0.000000 0.000000\n0.000000 9.198644 0.000000\n0.000000 0.000000 12.739895\nCs As O\n12 4 16\ndirect\n0.189810 0.992590 0.355120 Cs\n0.856257 0.750000 0.924232 Cs\n0.643743 0.750000 0.424232 Cs\n0.143743 0.250000 0.075768 Cs\n0.356257 0.250000 0.575768 Cs\n0.689810 0.007410 0.144880 Cs\n0.810190 0.492590 0.644880 Cs\n0.310190 0.507410 0.855120 Cs\n0.810190 0.007410 0.644880 Cs\n0.310190 0.992590 0.855120 Cs\n0.189810 0.507410 0.355120 Cs\n0.689810 0.492590 0.144880 Cs\n0.273973 0.750000 0.113669 As\n0.726027 0.250000 0.886331 As\n0.773973 0.250000 0.386331 As\n0.226027 0.750000 0.613669 As\n0.628350 0.405227 0.391878 O\n0.128350 0.594773 0.108122 O\n0.371650 0.905227 0.608122 O\n0.871650 0.094773 0.891878 O\n0.371650 0.594773 0.608122 O\n0.871650 0.405227 0.891878 O\n0.628350 0.094773 0.391878 O\n0.128350 0.905227 0.108122 O\n0.059610 0.750000 0.508988 O\n0.410941 0.750000 0.229549 O\n0.940390 0.250000 0.491012 O\n0.440390 0.750000 0.008988 O\n0.089059 0.750000 0.729549 O\n0.589059 0.250000 0.770451 O\n0.910941 0.250000 0.270451 O\n0.559610 0.250000 0.991012 O\n",
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{
"id": "mp-1188536",
"created_at": "2022-09-04T14:43:04.678467Z",
"structure_string": "Sm10 Ge6 C2\n1.0\n8.736060 0.000000 0.000000\n-4.368030 7.565650 0.000000\n0.000000 0.000000 6.648617\nSm Ge C\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Sm\n0.333333 0.666667 0.000000 Sm\n0.333333 0.666667 0.500000 Sm\n0.666667 0.333333 0.500000 Sm\n0.777606 0.777606 0.750000 Sm\n0.222394 0.000000 0.750000 Sm\n0.000000 0.222394 0.750000 Sm\n0.222394 0.222394 0.250000 Sm\n0.777606 0.000000 0.250000 Sm\n0.000000 0.777606 0.250000 Sm\n0.406941 0.406941 0.750000 Ge\n0.593059 0.000000 0.750000 Ge\n0.000000 0.593059 0.750000 Ge\n0.593059 0.593059 0.250000 Ge\n0.406941 0.000000 0.250000 Ge\n0.000000 0.406941 0.250000 Ge\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"formula_full": "Sm10 Ge6 C2",
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{
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"structure_string": "Al8 Hg12 Cl32\n1.0\n15.918303 0.000000 0.000000\n0.000000 7.300311 0.000000\n0.000000 2.111992 14.642411\nAl Hg Cl\n8 12 32\ndirect\n0.683344 0.398210 0.092486 Al\n0.399936 0.194728 0.278973 Al\n0.899936 0.805272 0.221027 Al\n0.600064 0.805272 0.721027 Al\n0.100064 0.194728 0.778973 Al\n0.816656 0.398210 0.592486 Al\n0.316656 0.601790 0.907514 Al\n0.183344 0.601790 0.407514 Al\n0.528681 0.630597 0.301843 Hg\n0.028681 0.369403 0.198157 Hg\n0.471319 0.369403 0.698157 Hg\n0.971319 0.630597 0.801843 Hg\n0.759453 0.983586 0.469634 Hg\n0.259453 0.016414 0.030366 Hg\n0.240547 0.016414 0.530366 Hg\n0.740547 0.983586 0.969634 Hg\n0.639924 0.809265 0.391041 Hg\n0.139924 0.190735 0.108959 Hg\n0.360076 0.190735 0.608959 Hg\n0.860076 0.809265 0.891041 Hg\n0.415945 0.480879 0.207239 Cl\n0.915945 0.519121 0.292761 Cl\n0.584055 0.519121 0.792761 Cl\n0.084055 0.480879 0.707239 Cl\n0.476349 0.173452 0.399953 Cl\n0.062253 0.006712 0.688123 Cl\n0.562253 0.993288 0.811877 Cl\n0.937747 0.993288 0.311877 Cl\n0.671564 0.327296 0.237475 Cl\n0.171564 0.672704 0.262525 Cl\n0.328436 0.672704 0.762525 Cl\n0.828436 0.327296 0.737475 Cl\n0.811326 0.405057 0.044510 Cl\n0.311326 0.594943 0.455490 Cl\n0.188674 0.594943 0.955490 Cl\n0.688674 0.405057 0.544510 Cl\n0.621140 0.174611 0.028359 Cl\n0.121140 0.825389 0.471641 Cl\n0.378860 0.825389 0.971641 Cl\n0.878860 0.174611 0.528359 Cl\n0.614692 0.645175 0.043838 Cl\n0.114692 0.354825 0.456162 Cl\n0.385308 0.354825 0.956162 Cl\n0.885308 0.645175 0.543838 Cl\n0.437747 0.006712 0.188123 Cl\n0.023651 0.173452 0.899953 Cl\n0.523651 0.826548 0.600047 Cl\n0.976349 0.826548 0.100047 Cl\n0.231254 0.157878 0.809993 Cl\n0.731254 0.842122 0.690007 Cl\n0.768746 0.842122 0.190007 Cl\n0.268746 0.157878 0.309993 Cl\n",
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{
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{
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"structure_string": "Sm8 Ti4 O20\n1.0\n3.810472 0.000000 0.000000\n0.000000 10.679585 0.000000\n0.000000 0.000000 11.456012\nSm Ti O\n8 4 20\ndirect\n0.250000 0.109829 0.277189 Sm\n0.250000 0.136861 0.943573 Sm\n0.750000 0.363139 0.443573 Sm\n0.750000 0.390171 0.777189 Sm\n0.250000 0.609829 0.222811 Sm\n0.250000 0.636861 0.556427 Sm\n0.750000 0.863139 0.056427 Sm\n0.750000 0.890171 0.722811 Sm\n0.250000 0.179597 0.621470 Ti\n0.750000 0.320403 0.121470 Ti\n0.250000 0.679597 0.878530 Ti\n0.750000 0.820403 0.378530 Ti\n0.750000 0.007167 0.896422 O\n0.250000 0.016507 0.658175 O\n0.250000 0.224470 0.460376 O\n0.750000 0.236006 0.618346 O\n0.750000 0.236339 0.269284 O\n0.250000 0.263661 0.769284 O\n0.250000 0.263994 0.118346 O\n0.750000 0.275530 0.960376 O\n0.750000 0.483493 0.158175 O\n0.250000 0.492833 0.396422 O\n0.750000 0.507167 0.603578 O\n0.250000 0.516507 0.841825 O\n0.250000 0.724470 0.039624 O\n0.750000 0.736006 0.881654 O\n0.750000 0.736339 0.230716 O\n0.250000 0.763661 0.730716 O\n0.250000 0.763994 0.381654 O\n0.750000 0.775530 0.539624 O\n0.750000 0.983493 0.341825 O\n0.250000 0.992833 0.103578 O\n",
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