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{
"id": "mp-24087",
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"structure_string": "H8 I2 N2 O8\n1.0\n-3.129751 3.129751 6.156282\n3.129751 -3.129751 6.156282\n3.129751 3.129751 -6.156282\nH I N O\n8 2 2 8\ndirect\n0.818940 0.924212 0.841978 H\n0.726962 0.068940 0.394728 H\n0.674212 0.332234 0.605272 H\n0.082234 0.976962 0.158022 H\n0.931060 0.325788 0.658022 H\n0.023038 0.181060 0.105272 H\n0.075788 0.917766 0.894728 H\n0.667766 0.273038 0.341978 H\n0.250000 0.750000 0.500000 I\n0.500000 0.500000 0.000000 I\n0.750000 0.250000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.536246 0.711428 0.582666 O\n0.213754 0.538572 0.917334 O\n0.621237 0.296420 0.082666 O\n0.046420 0.463754 0.175183 O\n0.461428 0.378763 0.675183 O\n0.703580 0.786246 0.324817 O\n0.128763 0.953580 0.417334 O\n0.288572 0.871237 0.824817 O\n",
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{
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"structure_string": "La4 Te10\n1.0\n2.241199 -22.696759 0.000000\n2.241199 22.696759 0.000000\n0.000000 0.000000 4.478447\nLa Te\n4 10\ndirect\n0.901982 0.098018 0.250000 La\n0.098018 0.901982 0.750000 La\n0.692869 0.307131 0.250000 La\n0.307131 0.692869 0.750000 La\n0.041376 0.958624 0.250000 Te\n0.958624 0.041376 0.750000 Te\n0.458114 0.541886 0.250000 Te\n0.541886 0.458114 0.750000 Te\n0.249960 0.750040 0.250000 Te\n0.750040 0.249960 0.750000 Te\n0.826472 0.173528 0.250000 Te\n0.173528 0.826472 0.750000 Te\n0.619257 0.380743 0.250000 Te\n0.380743 0.619257 0.750000 Te\n",
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{
"id": "mp-14469",
"created_at": "2022-09-04T14:47:28.099267Z",
"structure_string": "K4 Hg4 P12 O36\n1.0\n5.727468 0.000000 0.000000\n0.000000 11.450180 0.000000\n0.000000 0.000000 12.732860\nK Hg P O\n4 4 12 36\ndirect\n0.405183 0.882101 0.578898 K\n0.905183 0.617899 0.421102 K\n0.594817 0.382101 0.921102 K\n0.094817 0.117899 0.078898 K\n0.404548 0.518411 0.637089 Hg\n0.904548 0.981589 0.362911 Hg\n0.595452 0.018411 0.862911 Hg\n0.095452 0.481589 0.137089 Hg\n0.104574 0.841044 0.852464 P\n0.604574 0.658956 0.147536 P\n0.895426 0.341044 0.647536 P\n0.395426 0.158956 0.352464 P\n0.923771 0.688362 0.685627 P\n0.423771 0.811638 0.314373 P\n0.076229 0.188362 0.814373 P\n0.576229 0.311638 0.185627 P\n0.117513 0.584670 0.871763 P\n0.617513 0.915330 0.128237 P\n0.882487 0.084670 0.628237 P\n0.382487 0.415330 0.371763 P\n0.973468 0.927405 0.918064 O\n0.473468 0.572595 0.081936 O\n0.026532 0.427405 0.581936 O\n0.526532 0.072595 0.418064 O\n0.344709 0.871399 0.811086 O\n0.844709 0.628601 0.188914 O\n0.655291 0.371399 0.688914 O\n0.155291 0.128601 0.311086 O\n0.694730 0.683788 0.629045 O\n0.194730 0.816212 0.370955 O\n0.305270 0.183788 0.870955 O\n0.805270 0.316212 0.129045 O\n0.143735 0.678650 0.620003 O\n0.643735 0.821350 0.379997 O\n0.856265 0.178650 0.879997 O\n0.356265 0.321350 0.120003 O\n0.937583 0.809089 0.752219 O\n0.437583 0.690911 0.247781 O\n0.062417 0.309089 0.747781 O\n0.562417 0.190911 0.252219 O\n0.382446 0.282311 0.415168 O\n0.882446 0.217689 0.584832 O\n0.617554 0.782311 0.084832 O\n0.117554 0.717689 0.915168 O\n0.578920 0.407605 0.279084 O\n0.078920 0.092395 0.720916 O\n0.421080 0.907605 0.220916 O\n0.921080 0.592395 0.779084 O\n0.484599 0.493519 0.454661 O\n0.984599 0.006481 0.545339 O\n0.515401 0.993519 0.045339 O\n0.015401 0.506481 0.954661 O\n0.151592 0.447229 0.323123 O\n0.651592 0.052771 0.676877 O\n0.848408 0.947229 0.176877 O\n0.348408 0.552771 0.823123 O\n",
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{
"id": "mp-1019537",
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"structure_string": "Ba2 Al2 Si8 N10 O6\n1.0\n2.834249 -6.915396 0.000000\n2.834249 6.915396 0.000000\n0.000000 0.000000 9.456745\nBa Al Si N O\n2 2 8 10 6\ndirect\n0.974777 0.025223 0.987623 Ba\n0.025223 0.974777 0.487623 Ba\n0.471292 0.528708 0.757540 Al\n0.528708 0.471292 0.257540 Al\n0.298374 0.701626 0.987503 Si\n0.701626 0.298374 0.487503 Si\n0.423542 0.079072 0.767502 Si\n0.920928 0.576458 0.767502 Si\n0.576458 0.920928 0.267502 Si\n0.079072 0.423542 0.267502 Si\n0.288863 0.711137 0.545979 Si\n0.711137 0.288863 0.045979 Si\n0.408583 0.591417 0.921332 N\n0.591417 0.408583 0.421332 N\n0.200728 0.799272 0.863389 N\n0.799272 0.200728 0.363389 N\n0.709179 0.290821 0.860299 N\n0.290821 0.709179 0.360299 N\n0.472346 0.025428 0.598947 N\n0.974572 0.527654 0.598947 N\n0.527654 0.974572 0.098947 N\n0.025428 0.472346 0.098947 N\n0.305350 0.199243 0.748155 O\n0.800757 0.694650 0.748155 O\n0.694650 0.800757 0.248155 O\n0.199243 0.305350 0.248155 O\n0.399489 0.600511 0.603327 O\n0.600511 0.399489 0.103327 O\n",
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"formula_full": "Ba2 Al2 Si8 N10 O6",
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{
"id": "mp-1200574",
"created_at": "2022-09-04T14:47:26.383548Z",
"structure_string": "Na8 Pu2 H14 O18\n1.0\n6.045398 0.000000 0.000000\n-2.197826 7.867011 0.000000\n-2.216123 -3.484545 10.231164\nNa Pu H O\n8 2 14 18\ndirect\n0.792317 0.535691 0.584890 Na\n0.207683 0.464309 0.415110 Na\n0.942913 0.658390 0.922734 Na\n0.057087 0.341610 0.077266 Na\n0.476974 0.281144 0.906600 Na\n0.523026 0.718856 0.093400 Na\n0.384699 0.150303 0.577425 Na\n0.615301 0.849697 0.422575 Na\n0.365192 0.587268 0.751348 Pu\n0.634808 0.412732 0.248652 Pu\n0.569293 0.823266 0.628414 H\n0.430707 0.176734 0.371586 H\n0.082799 0.360088 0.849752 H\n0.917201 0.639912 0.150248 H\n0.840058 0.178793 0.620753 H\n0.159942 0.821207 0.379247 H\n0.757971 0.112441 0.788899 H\n0.242029 0.887559 0.211101 H\n0.707517 0.016115 0.894933 H\n0.292483 0.983885 0.105067 H\n0.177288 0.931472 0.731042 H\n0.822712 0.068528 0.268958 H\n0.012944 0.044378 0.689655 H\n0.987056 0.955622 0.310345 H\n0.151126 0.722064 0.757571 O\n0.848874 0.277936 0.242429 O\n0.605654 0.775066 0.893605 O\n0.394346 0.224934 0.106395 O\n0.578143 0.448979 0.747296 O\n0.421857 0.551021 0.252704 O\n0.123381 0.395552 0.612411 O\n0.876619 0.604448 0.387589 O\n0.506260 0.692024 0.595216 O\n0.493740 0.307976 0.404784 O\n0.215125 0.468804 0.904162 O\n0.784875 0.531196 0.095838 O\n0.755321 0.073659 0.641362 O\n0.244679 0.926341 0.358638 O\n0.762219 0.136129 0.886000 O\n0.237781 0.863871 0.114000 O\n0.185797 0.047482 0.717118 O\n0.814203 0.952518 0.282882 O\n",
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{
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{
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{
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{
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"structure_string": "Cs4 Re12 S16 Br8\n1.0\n18.925051 0.000000 0.000000\n0.000000 6.470868 0.000000\n0.000000 4.167640 9.252903\nCs Re S Br\n4 12 16 8\ndirect\n0.690074 0.050294 0.941441 Cs\n0.190074 0.949706 0.558559 Cs\n0.809926 0.050294 0.441441 Cs\n0.309926 0.949706 0.058559 Cs\n0.494171 0.780474 0.428068 Re\n0.057776 0.825528 0.155078 Re\n0.505829 0.219526 0.571932 Re\n0.580384 0.859922 0.604589 Re\n0.919616 0.859922 0.104589 Re\n0.005829 0.780474 0.928068 Re\n0.080384 0.140078 0.895411 Re\n0.442224 0.825528 0.655078 Re\n0.419616 0.140078 0.395411 Re\n0.994171 0.219526 0.071932 Re\n0.557776 0.174472 0.344922 Re\n0.942224 0.174472 0.844922 Re\n0.369113 0.767195 0.477669 S\n0.119822 0.170569 0.113541 S\n0.630887 0.232805 0.522331 S\n0.025696 0.085108 0.695064 S\n0.516269 0.503385 0.684080 S\n0.869113 0.232805 0.022331 S\n0.525696 0.914892 0.804936 S\n0.130887 0.767195 0.977669 S\n0.474304 0.085108 0.195064 S\n0.619822 0.829431 0.386459 S\n0.974304 0.914892 0.304936 S\n0.483731 0.496615 0.315920 S\n0.880178 0.829431 0.886459 S\n0.983731 0.503385 0.184080 S\n0.016269 0.496615 0.815920 S\n0.380178 0.170569 0.613541 S\n0.361088 0.592568 0.867762 Br\n0.638912 0.407432 0.132238 Br\n0.861088 0.407432 0.632238 Br\n0.695884 0.680529 0.741863 Br\n0.804116 0.680529 0.241863 Br\n0.195884 0.319471 0.758137 Br\n0.304116 0.319471 0.258137 Br\n0.138912 0.592568 0.367762 Br\n",
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},
{
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{
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"structure_string": "La4 Rh4 O12\n1.0\n5.521330 0.000000 0.000000\n0.000000 5.878627 0.000000\n0.000000 0.000000 7.945444\nLa Rh O\n4 4 12\ndirect\n0.479827 0.570067 0.750000 La\n0.979827 0.929933 0.250000 La\n0.020173 0.070067 0.750000 La\n0.520173 0.429933 0.250000 La\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.810649 0.197821 0.447202 O\n0.310649 0.302179 0.552798 O\n0.689351 0.697821 0.052798 O\n0.189351 0.802179 0.947202 O\n0.189351 0.802179 0.552798 O\n0.689351 0.697821 0.447202 O\n0.310649 0.302179 0.947202 O\n0.810649 0.197821 0.052798 O\n0.394181 0.031167 0.250000 O\n0.894181 0.468833 0.750000 O\n0.105819 0.531167 0.250000 O\n0.605819 0.968833 0.750000 O\n",
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]
}