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{
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{
"id": "mp-1186119",
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"structure_string": "Na1 Cd1 Pd2\n1.0\n0.000000 3.285491 3.285491\n3.285491 0.000000 3.285491\n3.285491 3.285491 0.000000\nNa Cd Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Na\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "K6 Ca6 V12 F54\n1.0\n3.810447 -6.536144 0.000000\n3.810447 6.536144 0.000000\n0.000000 0.000000 23.896801\nK Ca V F\n6 6 12 54\ndirect\n0.488900 0.511100 0.750000 K\n0.511100 0.488900 0.250000 K\n0.537696 0.494834 0.583862 K\n0.462304 0.505166 0.083862 K\n0.505166 0.462304 0.916138 K\n0.494834 0.537696 0.416138 K\n0.016789 0.016789 0.500000 Ca\n0.983211 0.983211 0.000000 Ca\n0.000485 0.485092 0.833190 Ca\n0.999515 0.514908 0.333190 Ca\n0.514908 0.999515 0.666810 Ca\n0.485092 0.000485 0.166810 Ca\n0.019049 0.518297 0.501934 V\n0.980951 0.481703 0.001934 V\n0.481703 0.980951 0.998066 V\n0.518297 0.019049 0.498066 V\n0.012905 0.497702 0.664935 V\n0.987095 0.502298 0.164935 V\n0.502298 0.987095 0.835065 V\n0.497702 0.012905 0.335065 V\n0.987291 0.002309 0.168508 V\n0.012709 0.997691 0.668508 V\n0.997691 0.012709 0.331492 V\n0.002309 0.987291 0.831492 V\n0.175381 0.378922 0.516201 F\n0.824619 0.621078 0.016201 F\n0.621078 0.824619 0.983799 F\n0.378922 0.175381 0.483799 F\n0.720978 0.364146 0.680120 F\n0.279022 0.635854 0.180120 F\n0.635854 0.279022 0.819880 F\n0.364146 0.720978 0.319880 F\n0.964466 0.224343 0.648646 F\n0.035534 0.775657 0.148646 F\n0.775657 0.035534 0.851354 F\n0.224343 0.964466 0.351354 F\n0.075593 0.476194 0.743390 F\n0.924407 0.523806 0.243390 F\n0.523806 0.924407 0.756610 F\n0.476194 0.075593 0.256610 F\n0.041625 0.970742 0.589546 F\n0.958375 0.029258 0.089546 F\n0.029258 0.958375 0.910454 F\n0.970742 0.041625 0.410454 F\n0.247093 0.791813 0.517156 F\n0.752907 0.208187 0.017156 F\n0.208187 0.752907 0.982844 F\n0.791813 0.247093 0.482844 F\n0.974691 0.025309 0.750000 F\n0.025309 0.974691 0.250000 F\n0.905989 0.459125 0.923055 F\n0.094011 0.540875 0.423055 F\n0.540875 0.094011 0.576945 F\n0.459125 0.905989 0.076945 F\n0.170941 0.282614 0.837310 F\n0.829059 0.717386 0.337310 F\n0.717386 0.829059 0.662690 F\n0.282614 0.170941 0.162690 F\n0.141737 0.347516 0.988531 F\n0.858263 0.652484 0.488531 F\n0.652484 0.858263 0.511469 F\n0.347516 0.141737 0.011469 F\n0.835899 0.692411 0.823795 F\n0.164101 0.307589 0.323795 F\n0.307589 0.164101 0.676205 F\n0.692411 0.835899 0.176205 F\n0.058096 0.767767 0.685253 F\n0.941904 0.232233 0.185253 F\n0.232233 0.941904 0.814747 F\n0.767767 0.058096 0.314747 F\n0.305515 0.637386 0.648358 F\n0.694485 0.362614 0.148358 F\n0.362614 0.694485 0.851642 F\n0.637386 0.305515 0.351642 F\n0.943877 0.506283 0.583309 F\n0.056123 0.493717 0.083309 F\n0.493717 0.056123 0.916691 F\n0.506283 0.943877 0.416691 F\n",
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"volume": 1190.3297819437541,
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"formula_full": "K6 Ca6 V12 F54",
"formula_reduced": "KCaV2F9",
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"spacegroup": 20
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{
"id": "mp-764827",
"created_at": "2022-09-04T14:39:59.730667Z",
"structure_string": "Fe16 Cu8 As16 H16 O80\n1.0\n7.857086 0.000000 0.000000\n0.000000 13.645250 0.000000\n0.000000 0.000000 14.513443\nFe Cu As H O\n16 8 16 16 80\ndirect\n0.042076 0.505255 0.238276 Fe\n0.042076 0.994745 0.738276 Fe\n0.217745 0.256729 0.495775 Fe\n0.217745 0.243271 0.995775 Fe\n0.282255 0.756729 0.495775 Fe\n0.282255 0.743271 0.995775 Fe\n0.457924 0.005255 0.238276 Fe\n0.457924 0.494745 0.738276 Fe\n0.542076 0.505255 0.261724 Fe\n0.542076 0.994745 0.761724 Fe\n0.717745 0.256729 0.004225 Fe\n0.717745 0.243271 0.504225 Fe\n0.782255 0.756729 0.004225 Fe\n0.782255 0.743271 0.504225 Fe\n0.957924 0.005255 0.261724 Fe\n0.957924 0.494745 0.761724 Fe\n0.138874 0.877873 0.131701 Cu\n0.138874 0.622127 0.631701 Cu\n0.361126 0.122127 0.631701 Cu\n0.361126 0.377873 0.131701 Cu\n0.638874 0.877873 0.368299 Cu\n0.638874 0.622127 0.868299 Cu\n0.861126 0.377873 0.368299 Cu\n0.861126 0.122127 0.868299 Cu\n0.018540 0.747230 0.305246 As\n0.018540 0.752770 0.805246 As\n0.237367 0.008982 0.441636 As\n0.237367 0.491018 0.941636 As\n0.262633 0.508982 0.441636 As\n0.262633 0.991018 0.941636 As\n0.481460 0.247230 0.305246 As\n0.481460 0.252770 0.805246 As\n0.518540 0.752770 0.694754 As\n0.518540 0.747230 0.194754 As\n0.737367 0.008982 0.058364 As\n0.737367 0.491018 0.558364 As\n0.762633 0.508982 0.058364 As\n0.762633 0.991018 0.558364 As\n0.981460 0.247230 0.194754 As\n0.981460 0.252770 0.694754 As\n0.022061 0.712486 0.110751 H\n0.022061 0.787514 0.610751 H\n0.230174 0.064088 0.088221 H\n0.230174 0.435912 0.588221 H\n0.269826 0.564088 0.088221 H\n0.269826 0.935912 0.588221 H\n0.477939 0.212486 0.110751 H\n0.477939 0.287514 0.610751 H\n0.522061 0.712486 0.389249 H\n0.522061 0.787514 0.889249 H\n0.730174 0.064088 0.411779 H\n0.730174 0.435912 0.911779 H\n0.769826 0.564088 0.411779 H\n0.769826 0.935912 0.911779 H\n0.977939 0.212486 0.389249 H\n0.977939 0.287514 0.889249 H\n0.999442 0.853475 0.239986 O\n0.999442 0.646525 0.739986 O\n0.025107 0.652936 0.227388 O\n0.025107 0.847064 0.727388 O\n0.026632 0.758341 0.057292 O\n0.026632 0.741659 0.557292 O\n0.048488 0.506509 0.889310 O\n0.048488 0.993491 0.389310 O\n0.084048 0.507492 0.376317 O\n0.084048 0.992508 0.876317 O\n0.160927 0.242950 0.127912 O\n0.160927 0.257050 0.627912 O\n0.198207 0.754277 0.371901 O\n0.198207 0.745723 0.871901 O\n0.224213 0.994267 0.193295 O\n0.224213 0.505733 0.693295 O\n0.235519 0.090247 0.021593 O\n0.235519 0.409753 0.521593 O\n0.234617 0.391025 0.014443 O\n0.234617 0.108975 0.514443 O\n0.265383 0.891025 0.014443 O\n0.265383 0.608975 0.514443 O\n0.264481 0.590247 0.021593 O\n0.264481 0.909753 0.521593 O\n0.275787 0.494267 0.193295 O\n0.275787 0.005733 0.693295 O\n0.301793 0.254277 0.371901 O\n0.301793 0.245723 0.871901 O\n0.339073 0.742950 0.127912 O\n0.339073 0.757050 0.627912 O\n0.415952 0.007492 0.376317 O\n0.415952 0.492508 0.876317 O\n0.451512 0.006509 0.889310 O\n0.451512 0.493491 0.389310 O\n0.473368 0.258341 0.057292 O\n0.473368 0.241659 0.557292 O\n0.474893 0.152936 0.227388 O\n0.474893 0.347064 0.727388 O\n0.500558 0.146525 0.739986 O\n0.500558 0.353475 0.239986 O\n0.499442 0.646525 0.760014 O\n0.499442 0.853475 0.260014 O\n0.525107 0.652936 0.272612 O\n0.525107 0.847064 0.772612 O\n0.526632 0.758341 0.442708 O\n0.526632 0.741659 0.942708 O\n0.548488 0.506509 0.610690 O\n0.548488 0.993491 0.110690 O\n0.584048 0.507492 0.123683 O\n0.584048 0.992508 0.623683 O\n0.660927 0.242950 0.372088 O\n0.660927 0.257050 0.872088 O\n0.698206 0.754277 0.128099 O\n0.698206 0.745723 0.628099 O\n0.724213 0.994267 0.306705 O\n0.724213 0.505733 0.806705 O\n0.735519 0.090247 0.478407 O\n0.735519 0.409753 0.978407 O\n0.734617 0.391025 0.485557 O\n0.734617 0.108975 0.985557 O\n0.765383 0.891025 0.485557 O\n0.765383 0.608975 0.985557 O\n0.764481 0.590247 0.478407 O\n0.764481 0.909753 0.978407 O\n0.775787 0.494267 0.306705 O\n0.775787 0.005733 0.806705 O\n0.801794 0.254277 0.128099 O\n0.801794 0.245723 0.628099 O\n0.839073 0.742950 0.372088 O\n0.839073 0.757050 0.872088 O\n0.915952 0.007492 0.123683 O\n0.915952 0.492508 0.623683 O\n0.951512 0.493491 0.110690 O\n0.951512 0.006509 0.610690 O\n0.973368 0.258341 0.442708 O\n0.973368 0.241659 0.942708 O\n0.974893 0.152936 0.272612 O\n0.974893 0.347064 0.772612 O\n0.000558 0.353475 0.260014 O\n0.000558 0.146525 0.760014 O\n",
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"formula_full": "Fe16 Cu8 As16 H16 O80",
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{
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"structure_string": "Ce1 Nd1 Zn2\n1.0\n0.000000 3.843639 3.843639\n3.843639 0.000000 3.843639\n3.843639 3.843639 0.000000\nCe Nd Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
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"structure_string": "Al4 Pb12 O4 F36\n1.0\n5.754458 0.000000 0.000000\n0.000000 5.870689 0.000000\n0.000000 4.997563 26.336000\nAl Pb O F\n4 12 4 36\ndirect\n0.801249 0.337529 0.403039 Al\n0.698751 0.337529 0.903039 Al\n0.198751 0.662471 0.596961 Al\n0.301249 0.662471 0.096961 Al\n0.286195 0.843189 0.425211 Pb\n0.213805 0.843189 0.925211 Pb\n0.713805 0.156811 0.574789 Pb\n0.786195 0.156811 0.074789 Pb\n0.301605 0.469780 0.309066 Pb\n0.198395 0.469780 0.809066 Pb\n0.698395 0.530220 0.690934 Pb\n0.801605 0.530220 0.190934 Pb\n0.829739 0.934984 0.305420 Pb\n0.670261 0.934984 0.805420 Pb\n0.170261 0.065016 0.694580 Pb\n0.329739 0.065016 0.194580 Pb\n0.416797 0.432816 0.501106 O\n0.083203 0.432816 0.001106 O\n0.583203 0.567184 0.498894 O\n0.916797 0.567184 0.998894 O\n0.635879 0.099891 0.379959 F\n0.864121 0.099891 0.879959 F\n0.364121 0.900109 0.620041 F\n0.135879 0.900109 0.120041 F\n0.855242 0.472853 0.333715 F\n0.644758 0.472853 0.833715 F\n0.144758 0.527147 0.666285 F\n0.355242 0.527147 0.166285 F\n0.768093 0.189986 0.466534 F\n0.731907 0.189986 0.966534 F\n0.231907 0.810014 0.533466 F\n0.268093 0.810014 0.033466 F\n0.962887 0.583120 0.419833 F\n0.537113 0.583120 0.919833 F\n0.037113 0.416880 0.580167 F\n0.462887 0.416880 0.080167 F\n0.529238 0.505702 0.396497 F\n0.970762 0.505702 0.896497 F\n0.470762 0.494298 0.603503 F\n0.029238 0.494298 0.103503 F\n0.077235 0.183476 0.394106 F\n0.422765 0.183476 0.894106 F\n0.922765 0.816524 0.605894 F\n0.577235 0.816524 0.105894 F\n0.069681 0.750054 0.245056 F\n0.430319 0.750054 0.745056 F\n0.930319 0.249946 0.754944 F\n0.569681 0.249946 0.254944 F\n0.061956 0.244101 0.249734 F\n0.438044 0.244101 0.749734 F\n0.938044 0.755899 0.750266 F\n0.561956 0.755899 0.250266 F\n0.248280 0.849266 0.336598 F\n0.251720 0.849266 0.836598 F\n0.751720 0.150734 0.663402 F\n0.748280 0.150734 0.163402 F\n",
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"formula_full": "Al4 Pb12 O4 F36",
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{
"id": "mp-1191555",
"created_at": "2022-09-04T14:39:59.742049Z",
"structure_string": "Pu2 P4 H4 C2 O12\n1.0\n0.111118 0.000000 -5.419324\n7.745749 0.000000 2.166547\n-3.928434 -6.919892 1.626388\nPu P H C O\n2 4 4 2 12\ndirect\n0.766577 0.766577 0.533154 Pu\n0.233423 0.233423 0.466846 Pu\n0.735265 0.367421 0.232962 P\n0.502303 0.134460 0.767038 P\n0.264735 0.632579 0.767038 P\n0.497697 0.865540 0.232962 P\n0.335308 0.097230 0.000000 H\n0.664692 0.902770 0.000000 H\n0.340159 0.317736 0.000000 H\n0.659841 0.682264 0.000000 H\n0.463074 0.227428 0.000000 C\n0.536926 0.772572 0.000000 C\n0.410507 0.608645 0.617116 O\n0.793391 0.991529 0.382884 O\n0.589493 0.391355 0.382884 O\n0.206609 0.008471 0.617116 O\n0.876873 0.582700 0.281922 O\n0.594951 0.300778 0.718078 O\n0.123127 0.417300 0.718078 O\n0.405049 0.699222 0.281922 O\n0.068774 0.739573 0.756377 O\n0.312397 0.983196 0.243623 O\n0.931226 0.260427 0.243623 O\n0.687603 0.016804 0.756377 O\n",
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{
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