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{
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{
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{
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"structure_string": "Tm12 Ru4\n1.0\n0.000000 0.000000 6.205671\n7.249994 0.000000 0.000000\n0.000000 9.021951 0.000000\nTm Ru\n12 4\ndirect\n0.633280 0.041213 0.250000 Tm\n0.366720 0.958787 0.750000 Tm\n0.133280 0.458787 0.750000 Tm\n0.866720 0.541213 0.250000 Tm\n0.169317 0.175968 0.063727 Tm\n0.830683 0.824032 0.936273 Tm\n0.669317 0.324032 0.936273 Tm\n0.830683 0.824032 0.563727 Tm\n0.330683 0.675968 0.063727 Tm\n0.169317 0.175968 0.436273 Tm\n0.330683 0.675968 0.436273 Tm\n0.669317 0.324032 0.563727 Tm\n0.461532 0.384823 0.250000 Ru\n0.538468 0.615177 0.750000 Ru\n0.961532 0.115177 0.750000 Ru\n0.038468 0.884823 0.250000 Ru\n",
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{
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"structure_string": "Zn1 Ni4 S8\n1.0\n6.106355 -3.361468 0.000000\n6.106355 3.361468 0.000000\n4.255912 0.000000 5.520349\nZn Ni S\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.272078 0.759254 0.759254 S\n0.240746 0.240746 0.727922 S\n0.727922 0.240746 0.240746 S\n0.240746 0.727922 0.240746 S\n0.265253 0.265253 0.265253 S\n0.734747 0.734747 0.734747 S\n0.759254 0.272078 0.759254 S\n0.759254 0.759254 0.272078 S\n",
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"formula_full": "Zn1 Ni4 S8",
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{
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"structure_string": "Yb1 Eu1 Zn2\n1.0\n0.000000 3.675174 3.675174\n3.675174 0.000000 3.675174\n3.675174 3.675174 0.000000\nYb Eu Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
"id": "mp-554129",
"created_at": "2022-09-04T14:44:57.955579Z",
"structure_string": "Br12 N4 O16 F40\n1.0\n8.511809 0.000000 0.000000\n0.000000 9.100600 0.000000\n0.000000 0.000000 15.523596\nBr N O F\n12 4 16 40\ndirect\n0.601997 0.278959 0.436717 Br\n0.398003 0.778959 0.063283 Br\n0.980094 0.500000 0.500000 Br\n0.601997 0.721041 0.563283 Br\n0.814987 0.772889 0.300759 Br\n0.185013 0.272889 0.199241 Br\n0.185013 0.727111 0.800759 Br\n0.814987 0.227111 0.699241 Br\n0.003711 0.500000 0.000000 Br\n0.996289 0.000000 0.500000 Br\n0.398003 0.221041 0.936717 Br\n0.019906 0.000000 0.000000 Br\n0.685254 0.280428 0.171013 N\n0.314746 0.780428 0.328987 N\n0.685254 0.719572 0.828987 N\n0.314746 0.219572 0.671013 N\n0.468341 0.374671 0.391363 O\n0.719451 0.839612 0.837476 O\n0.280549 0.339612 0.662524 O\n0.649588 0.599891 0.819660 O\n0.269910 0.576284 0.775898 O\n0.719451 0.160388 0.162524 O\n0.649588 0.400109 0.180340 O\n0.269910 0.423716 0.224102 O\n0.531659 0.874671 0.108637 O\n0.531659 0.125329 0.891363 O\n0.730090 0.076284 0.724102 O\n0.350412 0.900109 0.319660 O\n0.468341 0.625329 0.608637 O\n0.280549 0.660388 0.337476 O\n0.350412 0.099891 0.680340 O\n0.730090 0.923716 0.275898 O\n0.627143 0.340140 0.704008 F\n0.270144 0.000000 0.000000 F\n0.018700 0.051654 0.119932 F\n0.862167 0.687340 0.198313 F\n0.846326 0.364882 0.028841 F\n0.833445 0.851145 0.463371 F\n0.019942 0.148939 0.702917 F\n0.846326 0.635118 0.971159 F\n0.456570 0.591830 0.088888 F\n0.264465 0.231571 0.838512 F\n0.805168 0.000000 0.000000 F\n0.372857 0.840140 0.795992 F\n0.981300 0.551654 0.380068 F\n0.833445 0.148855 0.536629 F\n0.495220 0.252874 0.542507 F\n0.543430 0.091830 0.411112 F\n0.862167 0.312660 0.801687 F\n0.504780 0.247126 0.042507 F\n0.456570 0.408170 0.911112 F\n0.153674 0.864882 0.471159 F\n0.980058 0.351061 0.202917 F\n0.729856 0.500000 0.500000 F\n0.627143 0.659860 0.295992 F\n0.019942 0.851061 0.297083 F\n0.504780 0.752874 0.957493 F\n0.166555 0.351145 0.036629 F\n0.018700 0.948346 0.880068 F\n0.495220 0.747126 0.457493 F\n0.543430 0.908170 0.588888 F\n0.372857 0.159860 0.204008 F\n0.166555 0.648855 0.963371 F\n0.153674 0.135118 0.528841 F\n0.137833 0.187340 0.301687 F\n0.264465 0.768429 0.161488 F\n0.980058 0.648939 0.797083 F\n0.194832 0.500000 0.500000 F\n0.981300 0.448346 0.619932 F\n0.735535 0.268429 0.338512 F\n0.137833 0.812660 0.698313 F\n0.735535 0.731571 0.661488 F\n",
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{
"id": "mp-779907",
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"structure_string": "Li8 Mn8 P8 H16 O40\n1.0\n5.140066 0.000000 0.000000\n0.000000 10.213774 0.000000\n0.000000 0.000000 17.142305\nLi Mn P H O\n8 8 8 16 40\ndirect\n0.528466 0.149517 0.193358 Li\n0.471534 0.149517 0.693358 Li\n0.098062 0.420045 0.945791 Li\n0.901938 0.420045 0.445791 Li\n0.471534 0.649517 0.806642 Li\n0.528466 0.649517 0.306642 Li\n0.098062 0.920045 0.554209 Li\n0.901938 0.920045 0.054209 Li\n0.465407 0.182934 0.500188 Mn\n0.534593 0.182934 0.000188 Mn\n0.907600 0.391231 0.251099 Mn\n0.092400 0.391231 0.751099 Mn\n0.465407 0.682934 0.999812 Mn\n0.534593 0.682934 0.499812 Mn\n0.092400 0.891231 0.748901 Mn\n0.907600 0.891231 0.248901 Mn\n0.010369 0.226067 0.092528 P\n0.989631 0.226067 0.592528 P\n0.410351 0.345284 0.342425 P\n0.589649 0.345284 0.842425 P\n0.989631 0.726067 0.907472 P\n0.010369 0.726067 0.407472 P\n0.589649 0.845284 0.657575 P\n0.410351 0.845284 0.157575 P\n0.090914 0.003642 0.375761 H\n0.909086 0.003642 0.875761 H\n0.630407 0.053911 0.376810 H\n0.369593 0.053911 0.876810 H\n0.165503 0.111157 0.311345 H\n0.834497 0.111157 0.811345 H\n0.659927 0.449402 0.056591 H\n0.340073 0.449402 0.556591 H\n0.090914 0.503642 0.124239 H\n0.909086 0.503642 0.624239 H\n0.369593 0.553911 0.623190 H\n0.630407 0.553911 0.123190 H\n0.834497 0.611157 0.688655 H\n0.165503 0.611157 0.188655 H\n0.659927 0.949402 0.443409 H\n0.340073 0.949402 0.943409 H\n0.543052 0.020319 0.423951 O\n0.456948 0.020319 0.923951 O\n0.029837 0.044093 0.326619 O\n0.970163 0.044093 0.826619 O\n0.875711 0.111556 0.047501 O\n0.124289 0.111556 0.547501 O\n0.692772 0.198207 0.599660 O\n0.307228 0.198207 0.099660 O\n0.576969 0.214271 0.796991 O\n0.423031 0.214271 0.296991 O\n0.886758 0.234651 0.175653 O\n0.113242 0.234651 0.675653 O\n0.456429 0.333252 0.924189 O\n0.543571 0.333252 0.424189 O\n0.957672 0.354783 0.046676 O\n0.042328 0.354783 0.546676 O\n0.120068 0.385291 0.353141 O\n0.879932 0.385291 0.853141 O\n0.555962 0.454794 0.296037 O\n0.444038 0.454794 0.796037 O\n0.543052 0.520319 0.076049 O\n0.456948 0.520319 0.576049 O\n0.029837 0.544093 0.173381 O\n0.970163 0.544093 0.673381 O\n0.124289 0.611556 0.952499 O\n0.875711 0.611556 0.452499 O\n0.692772 0.698207 0.900340 O\n0.307228 0.698207 0.400340 O\n0.576969 0.714271 0.703009 O\n0.423031 0.714271 0.203009 O\n0.886758 0.734651 0.324347 O\n0.113242 0.734651 0.824347 O\n0.456429 0.833252 0.575811 O\n0.543571 0.833252 0.075811 O\n0.957672 0.854783 0.453324 O\n0.042328 0.854783 0.953324 O\n0.879932 0.885291 0.646859 O\n0.120068 0.885291 0.146859 O\n0.444038 0.954794 0.703963 O\n0.555962 0.954794 0.203963 O\n",
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{
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},
{
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"structure_string": "Na8 Mg8 P8 C16 O48\n1.0\n9.715097 0.000000 0.000000\n0.000000 10.116496 0.000000\n0.000000 0.000000 11.733427\nNa Mg P C O\n8 8 8 16 48\ndirect\n0.078424 0.114146 0.935295 Na\n0.421576 0.614146 0.064705 Na\n0.578424 0.885854 0.564705 Na\n0.921576 0.385854 0.435295 Na\n0.921576 0.885854 0.064705 Na\n0.578424 0.385854 0.935295 Na\n0.421576 0.114146 0.435295 Na\n0.078424 0.614146 0.564705 Na\n0.913995 0.311667 0.108514 Mg\n0.586005 0.811667 0.891486 Mg\n0.413995 0.688333 0.391486 Mg\n0.086005 0.188333 0.608514 Mg\n0.086005 0.688333 0.891486 Mg\n0.413995 0.188333 0.108514 Mg\n0.586005 0.311667 0.608514 Mg\n0.913995 0.811667 0.391486 Mg\n0.713344 0.094333 0.963569 P\n0.786656 0.594333 0.036431 P\n0.213344 0.905667 0.536431 P\n0.286656 0.405667 0.463569 P\n0.286656 0.905667 0.036431 P\n0.213344 0.405667 0.963569 P\n0.786656 0.094333 0.463569 P\n0.713344 0.594333 0.536431 P\n0.673540 0.146027 0.815991 C\n0.826460 0.646027 0.184009 C\n0.173540 0.853973 0.684009 C\n0.326460 0.353973 0.315991 C\n0.326460 0.853973 0.184009 C\n0.173540 0.353973 0.815991 C\n0.826460 0.146027 0.315991 C\n0.673540 0.646027 0.684009 C\n0.552979 0.076836 0.753209 C\n0.947021 0.576836 0.246791 C\n0.052979 0.923164 0.746791 C\n0.447021 0.423164 0.253209 C\n0.447021 0.923164 0.246791 C\n0.052979 0.423164 0.753209 C\n0.947021 0.076836 0.253209 C\n0.552979 0.576836 0.746791 C\n0.851769 0.151650 0.001656 O\n0.648231 0.651650 0.998344 O\n0.351769 0.848350 0.498344 O\n0.148231 0.348350 0.501656 O\n0.148231 0.848350 0.998344 O\n0.351769 0.348350 0.001656 O\n0.648231 0.151650 0.501656 O\n0.851769 0.651650 0.498344 O\n0.713220 0.943438 0.969558 O\n0.786780 0.443438 0.030442 O\n0.213220 0.056562 0.530442 O\n0.286780 0.556562 0.469558 O\n0.286780 0.056562 0.030442 O\n0.213220 0.556562 0.969558 O\n0.786780 0.943438 0.469558 O\n0.713220 0.443438 0.530442 O\n0.588265 0.163333 0.016042 O\n0.911735 0.663333 0.983958 O\n0.088265 0.836667 0.483958 O\n0.411735 0.336667 0.516042 O\n0.411735 0.836667 0.983958 O\n0.088265 0.336667 0.016042 O\n0.911735 0.163333 0.516042 O\n0.588265 0.663333 0.483958 O\n0.722337 0.245244 0.769585 O\n0.777663 0.745244 0.230415 O\n0.222337 0.754756 0.730415 O\n0.277663 0.254756 0.269585 O\n0.277663 0.754756 0.230415 O\n0.222337 0.254756 0.769585 O\n0.777663 0.245244 0.269585 O\n0.722337 0.745244 0.730415 O\n0.534728 0.953369 0.766941 O\n0.965272 0.453369 0.233059 O\n0.034728 0.046631 0.733059 O\n0.465272 0.546631 0.266941 O\n0.465272 0.046631 0.233059 O\n0.034728 0.546631 0.766941 O\n0.965272 0.953369 0.266941 O\n0.534728 0.453369 0.733059 O\n0.487097 0.149825 0.685874 O\n0.012903 0.649825 0.314126 O\n0.987097 0.850175 0.814126 O\n0.512903 0.350175 0.185874 O\n0.512903 0.850175 0.314126 O\n0.987097 0.350175 0.685874 O\n0.012903 0.149825 0.185874 O\n0.487097 0.649825 0.814126 O\n",
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],
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"density": 2.2841768776653475,
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"formula_full": "Na8 Mg8 P8 C16 O48",
"formula_reduced": "NaMgP(CO3)2",
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"spacegroup": 61
},
{
"id": "mp-1178014",
"created_at": "2022-09-04T14:44:55.654169Z",
"structure_string": "Li2 Cu2 Si8 O19\n1.0\n2.466064 6.777926 0.000000\n-2.466064 6.777926 0.000000\n0.000000 3.955099 11.781751\nLi Cu Si O\n2 2 8 19\ndirect\n0.242499 0.549995 0.631510 Li\n0.450005 0.757501 0.368490 Li\n0.331761 0.271366 0.402706 Cu\n0.728634 0.668239 0.597294 Cu\n0.527234 0.230935 0.929477 Si\n0.126503 0.854998 0.168293 Si\n0.930626 0.928838 0.421829 Si\n0.660288 0.781254 0.829011 Si\n0.218746 0.339712 0.170989 Si\n0.071162 0.069374 0.578171 Si\n0.145002 0.873497 0.831707 Si\n0.769065 0.472766 0.070523 Si\n0.822551 0.144696 0.891678 O\n0.253616 0.580567 0.902379 O\n0.122342 0.879369 0.296423 O\n0.598279 0.249474 0.430040 O\n0.541180 0.073299 0.852179 O\n0.974562 0.660093 0.457349 O\n0.862515 0.675516 0.707929 O\n0.120361 0.633893 0.172233 O\n0.840766 0.527193 0.934996 O\n0.472807 0.159234 0.065004 O\n0.366107 0.879639 0.827767 O\n0.324484 0.137485 0.292071 O\n0.339907 0.025438 0.542651 O\n0.926701 0.458820 0.147821 O\n0.750526 0.401721 0.569960 O\n0.120631 0.877658 0.703577 O\n0.125781 0.874219 0.500000 O\n0.419433 0.746384 0.097621 O\n0.855304 0.177449 0.108322 O\n",
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],
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"formula_full": "Li2 Cu2 Si8 O19",
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}
]
}