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{
"id": "mp-1017063",
"created_at": "2022-09-04T14:39:10.490620Z",
"structure_string": "Mg12 Ga2 W2\n1.0\n4.953948 0.000000 0.000000\n0.000000 5.862723 0.000000\n0.000000 0.000000 10.706362\nMg Ga W\n12 2 2\ndirect\n0.500000 0.248418 0.419753 Mg\n0.500000 0.751582 0.419753 Mg\n0.000000 0.760035 0.085178 Mg\n0.000000 0.239965 0.085178 Mg\n0.000000 0.000000 0.322708 Mg\n0.000000 0.500000 0.328324 Mg\n0.500000 0.748418 0.919753 Mg\n0.500000 0.251582 0.919753 Mg\n0.000000 0.260035 0.585178 Mg\n0.000000 0.739965 0.585178 Mg\n0.000000 0.500000 0.822708 Mg\n0.000000 0.000000 0.828324 Mg\n0.500000 0.500000 0.167914 Ga\n0.500000 0.000000 0.667914 Ga\n0.500000 0.000000 0.171190 W\n0.500000 0.500000 0.671190 W\n",
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"spacegroup": 38
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{
"id": "mp-1076540",
"created_at": "2022-09-04T14:39:10.497379Z",
"structure_string": "K12 Na20 V4 Mo28 O80\n1.0\n0.010670 0.049284 11.434380\n11.731429 -0.014608 0.011101\n-5.890868 15.113489 -5.654259\nK Na V Mo O\n12 20 4 28 80\ndirect\n0.305193 0.065747 0.109623 K\n0.305384 0.563807 0.110588 K\n0.802882 0.064930 0.109650 K\n0.802536 0.564885 0.109577 K\n0.200921 0.933677 0.395220 K\n0.191219 0.922910 0.879031 K\n0.688624 0.427930 0.879257 K\n0.055683 0.295690 0.110782 K\n0.051671 0.793231 0.108136 K\n0.555680 0.294463 0.110043 K\n0.554741 0.795173 0.108540 K\n0.942729 0.702353 0.879691 K\n0.297464 0.071850 0.607979 Na\n0.308023 0.569364 0.609914 Na\n0.802107 0.067671 0.604113 Na\n0.809044 0.567685 0.603537 Na\n0.199845 0.437213 0.405214 Na\n0.198961 0.430593 0.888402 Na\n0.698286 0.436374 0.403692 Na\n0.699476 0.935243 0.402537 Na\n0.697521 0.929606 0.892567 Na\n0.057674 0.289682 0.607885 Na\n0.057167 0.784258 0.605696 Na\n0.553083 0.289430 0.604461 Na\n0.550253 0.783071 0.603788 Na\n0.448861 0.217756 0.404164 Na\n0.441925 0.211100 0.890954 Na\n0.447891 0.717732 0.403757 Na\n0.449074 0.708145 0.888568 Na\n0.949874 0.218009 0.404067 Na\n0.945513 0.212126 0.892734 Na\n0.949362 0.716705 0.403574 Na\n0.105878 0.579553 0.742531 V\n0.595992 0.588590 0.744182 V\n0.350935 0.411914 0.747638 V\n0.348542 0.909391 0.744030 V\n0.003628 0.998005 0.994131 Mo\n0.011530 0.001514 0.503277 Mo\n0.003002 0.494733 0.993246 Mo\n0.013222 0.500654 0.503352 Mo\n0.499920 0.994694 0.989616 Mo\n0.512937 0.002684 0.503709 Mo\n0.500581 0.495632 0.992148 Mo\n0.512682 0.501465 0.504369 Mo\n0.253299 0.248007 0.993283 Mo\n0.262458 0.254740 0.505690 Mo\n0.252076 0.743822 0.991661 Mo\n0.262983 0.751649 0.505153 Mo\n0.752283 0.245037 0.991853 Mo\n0.762722 0.249808 0.500935 Mo\n0.750952 0.746900 0.992271 Mo\n0.762925 0.751213 0.502461 Mo\n0.097246 0.103711 0.258147 Mo\n0.095055 0.089165 0.745872 Mo\n0.097022 0.591841 0.257500 Mo\n0.599606 0.100638 0.257811 Mo\n0.588720 0.083269 0.743818 Mo\n0.598066 0.598035 0.258405 Mo\n0.350021 0.410750 0.260486 Mo\n0.353076 0.910475 0.253859 Mo\n0.847909 0.409967 0.259529 Mo\n0.850012 0.407253 0.741286 Mo\n0.845988 0.911477 0.258869 Mo\n0.837247 0.910088 0.743696 Mo\n0.126813 0.124805 0.489378 O\n0.120831 0.119582 0.981740 O\n0.128553 0.618552 0.487851 O\n0.123358 0.612158 0.981409 O\n0.626536 0.117664 0.482208 O\n0.618353 0.110839 0.973923 O\n0.628181 0.620089 0.486934 O\n0.618524 0.619000 0.981907 O\n0.132361 0.376150 0.003211 O\n0.147021 0.387176 0.521917 O\n0.133263 0.876319 0.006273 O\n0.144238 0.883084 0.521183 O\n0.629222 0.372852 0.001725 O\n0.647647 0.386346 0.522674 O\n0.628527 0.874661 0.998167 O\n0.646563 0.886395 0.521735 O\n0.382037 0.122858 0.491918 O\n0.372900 0.117285 0.980719 O\n0.379448 0.617682 0.489152 O\n0.369253 0.612172 0.976366 O\n0.875318 0.113246 0.480950 O\n0.871052 0.114889 0.979506 O\n0.877272 0.615848 0.483939 O\n0.871037 0.615355 0.983107 O\n0.382133 0.378112 0.003405 O\n0.396392 0.387208 0.522112 O\n0.381449 0.873354 0.000555 O\n0.399287 0.888380 0.525947 O\n0.883955 0.376443 0.005210 O\n0.895865 0.384234 0.519514 O\n0.878591 0.878965 0.002180 O\n0.896151 0.886762 0.522632 O\n0.073615 0.090515 0.138433 O\n0.088096 0.113318 0.639832 O\n0.076599 0.588073 0.141342 O\n0.090294 0.604631 0.643081 O\n0.576263 0.085002 0.137785 O\n0.590452 0.113982 0.642320 O\n0.574689 0.586746 0.139411 O\n0.577522 0.610661 0.643787 O\n0.459480 0.389284 0.364970 O\n0.431475 0.397044 0.851395 O\n0.450767 0.890470 0.362787 O\n0.428237 0.896499 0.848619 O\n0.959108 0.388662 0.363439 O\n0.939344 0.392385 0.852473 O\n0.950857 0.887093 0.362976 O\n0.942415 0.904206 0.854238 O\n0.328344 0.304581 0.141153 O\n0.333284 0.291974 0.645632 O\n0.332383 0.797648 0.137598 O\n0.337490 0.787599 0.644037 O\n0.825300 0.302173 0.140615 O\n0.840086 0.272297 0.637411 O\n0.824067 0.804953 0.139495 O\n0.839435 0.779105 0.641351 O\n0.207243 0.224129 0.365506 O\n0.195982 0.212853 0.854348 O\n0.212450 0.708054 0.365121 O\n0.182049 0.690821 0.850144 O\n0.709057 0.226415 0.361822 O\n0.698537 0.199720 0.852664 O\n0.707332 0.724664 0.362868 O\n0.680549 0.700942 0.850321 O\n0.440171 0.070353 0.269421 O\n0.419189 0.057272 0.746781 O\n0.438297 0.567147 0.269947 O\n0.436284 0.550426 0.747822 O\n0.939638 0.066363 0.269428 O\n0.924798 0.061340 0.747005 O\n0.936217 0.566042 0.268628 O\n0.939806 0.543879 0.732519 O\n0.188374 0.447598 0.270353 O\n0.186525 0.440194 0.744650 O\n0.190118 0.956523 0.253244 O\n0.183153 0.939487 0.733969 O\n0.687212 0.452177 0.269720 O\n0.678987 0.448011 0.733497 O\n0.685024 0.952658 0.268069 O\n0.666096 0.930481 0.745964 O\n",
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"elements": [
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"density_atomic": 0.07094893116957583,
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"formula_full": "K12 Na20 V4 Mo28 O80",
"formula_reduced": "K3Na5VMo7O20",
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},
{
"id": "mp-504579",
"created_at": "2022-09-04T14:39:10.498400Z",
"structure_string": "Ag6 Mo10 O33\n1.0\n7.688425 0.000000 0.000000\n1.999628 8.242212 0.000000\n2.378220 0.076224 11.304562\nAg Mo O\n6 10 33\ndirect\n0.822548 0.474090 0.234595 Ag\n0.177452 0.525910 0.765405 Ag\n0.266511 0.471429 0.221727 Ag\n0.733489 0.528571 0.778273 Ag\n0.350752 0.998439 0.246798 Ag\n0.649248 0.001561 0.753202 Ag\n0.812179 0.999406 0.319343 Mo\n0.187821 0.000594 0.680657 Mo\n0.713074 0.199489 0.021499 Mo\n0.286926 0.800511 0.978501 Mo\n0.847831 0.806908 0.018719 Mo\n0.152169 0.193092 0.981281 Mo\n0.940115 0.224714 0.501351 Mo\n0.059885 0.775286 0.498649 Mo\n0.558477 0.776560 0.498360 Mo\n0.441523 0.223440 0.501640 Mo\n0.806517 0.827800 0.475515 O\n0.193483 0.172200 0.524485 O\n0.710884 0.170648 0.479354 O\n0.289116 0.829352 0.520646 O\n0.605534 0.626162 0.392834 O\n0.394466 0.373838 0.607166 O\n0.158369 0.649538 0.377063 O\n0.841631 0.350462 0.622937 O\n0.553658 0.987061 0.378562 O\n0.446342 0.012939 0.621438 O\n0.028528 0.003330 0.380711 O\n0.971472 0.996670 0.619289 O\n0.968080 0.355850 0.378987 O\n0.031920 0.644150 0.621013 O\n0.416894 0.325898 0.369381 O\n0.583106 0.674102 0.630619 O\n0.000000 0.000000 0.000000 O\n0.900181 0.319156 0.003742 O\n0.099819 0.680844 0.996258 O\n0.346912 0.004339 0.923284 O\n0.653088 0.995661 0.076716 O\n0.478861 0.658544 0.908941 O\n0.521139 0.341456 0.091059 O\n0.248691 0.347431 0.905563 O\n0.892345 0.837509 0.219944 O\n0.808170 0.800237 0.874281 O\n0.191830 0.199763 0.125719 O\n0.685183 0.198153 0.874610 O\n0.314817 0.801847 0.125390 O\n0.214487 0.828818 0.774895 O\n0.785513 0.171182 0.225105 O\n0.107655 0.162491 0.780056 O\n0.751309 0.652569 0.094437 O\n",
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{
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"structure_string": "Nd8 S6 N2 Cl6\n1.0\n4.685831 -8.116097 0.000000\n4.685831 8.116097 0.000000\n0.000000 0.000000 6.885132\nNd S N Cl\n8 6 2 6\ndirect\n0.666667 0.333333 0.286560 Nd\n0.202162 0.797838 0.252090 Nd\n0.797838 0.595677 0.752090 Nd\n0.797838 0.202162 0.752090 Nd\n0.595677 0.797838 0.252090 Nd\n0.333333 0.666667 0.786560 Nd\n0.202162 0.404323 0.252090 Nd\n0.404323 0.202162 0.752090 Nd\n0.532587 0.467413 0.030370 S\n0.532587 0.065174 0.030370 S\n0.065174 0.532587 0.530370 S\n0.934826 0.467413 0.030370 S\n0.467413 0.934826 0.530370 S\n0.467413 0.532587 0.530370 S\n0.666667 0.333333 0.631013 N\n0.333333 0.666667 0.131013 N\n0.131325 0.262649 0.862485 Cl\n0.737351 0.868675 0.862485 Cl\n0.262649 0.131325 0.362485 Cl\n0.868675 0.131325 0.362485 Cl\n0.868675 0.737351 0.362485 Cl\n0.131325 0.868675 0.862485 Cl\n",
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{
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"structure_string": "Ca1 Y4 Bi4 O12\n1.0\n6.284808 0.011152 0.277132\n0.017148 5.915005 0.008377\n0.414190 0.009783 9.350968\nCa Y Bi O\n1 4 4 12\ndirect\n0.229964 0.533852 0.059797 Ca\n0.057240 0.967675 0.796047 Y\n0.527063 0.501242 0.324290 Y\n0.460849 0.431865 0.712877 Y\n0.979205 0.019887 0.223012 Y\n0.995362 0.488967 0.521687 Bi\n0.433857 0.993311 0.424906 Bi\n0.521490 0.978415 0.978551 Bi\n0.799690 0.478280 0.960662 Bi\n0.656771 0.320119 0.509542 O\n0.181044 0.220201 0.622927 O\n0.957862 0.843115 0.023107 O\n0.343638 0.743340 0.845710 O\n0.333826 0.669120 0.537580 O\n0.743828 0.804353 0.352587 O\n0.287959 0.222118 0.910346 O\n0.722722 0.267117 0.183947 O\n0.226257 0.291871 0.279330 O\n0.727607 0.163007 0.814757 O\n0.303460 0.796844 0.238365 O\n0.864472 0.650719 0.722831 O\n",
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{
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"structure_string": "Gd8 N4 Cl12\n1.0\n6.172033 0.000000 0.000000\n0.000000 6.775078 0.000000\n0.000000 0.000000 13.152266\nGd N Cl\n8 4 12\ndirect\n0.992407 0.327636 0.408174 Gd\n0.492407 0.172364 0.091826 Gd\n0.507593 0.327636 0.591826 Gd\n0.007593 0.172364 0.908174 Gd\n0.007593 0.672364 0.591826 Gd\n0.507593 0.827636 0.908174 Gd\n0.492407 0.672364 0.408174 Gd\n0.992407 0.827636 0.091826 Gd\n0.750000 0.509991 0.500000 N\n0.250000 0.990009 0.000000 N\n0.250000 0.490009 0.500000 N\n0.750000 0.009991 0.000000 N\n0.110768 0.134794 0.220571 Cl\n0.610768 0.365206 0.279429 Cl\n0.389232 0.134794 0.779429 Cl\n0.889232 0.365206 0.720571 Cl\n0.750000 0.502617 0.000000 Cl\n0.250000 0.997383 0.500000 Cl\n0.250000 0.497383 0.000000 Cl\n0.750000 0.002617 0.500000 Cl\n0.110768 0.634794 0.279429 Cl\n0.610768 0.865206 0.220571 Cl\n0.389232 0.634794 0.720571 Cl\n0.889232 0.865206 0.779429 Cl\n",
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{
"id": "mp-12362",
"created_at": "2022-09-04T14:39:10.509416Z",
"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n5.136512 -4.949225 0.000000\n5.136512 4.949225 0.000000\n0.367745 0.000000 7.123437\nAg Hg Sb O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.402690 0.750000 0.097310 Hg\n0.097310 0.402690 0.750000 Hg\n0.597310 0.250000 0.902690 Hg\n0.902690 0.597310 0.250000 Hg\n0.750000 0.097310 0.402690 Hg\n0.250000 0.902690 0.597310 Hg\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500886 0.785135 0.496342 O\n0.496342 0.500886 0.785135 O\n0.785135 0.496342 0.500886 O\n0.999114 0.003658 0.714865 O\n0.714865 0.999114 0.003658 O\n0.003658 0.714865 0.999114 O\n0.499114 0.214865 0.503658 O\n0.503658 0.499114 0.214865 O\n0.214865 0.503658 0.499114 O\n0.000886 0.996342 0.285135 O\n0.996342 0.285135 0.000886 O\n0.285135 0.000886 0.996342 O\n",
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