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{
"id": "mp-561286",
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"structure_string": "Zn20 S20\n1.0\n1.926934 -3.337548 0.000000\n1.926934 3.337548 0.000000\n0.000000 0.000000 62.971045\nZn S\n20 20\ndirect\n0.000000 0.000000 0.400003 Zn\n0.333333 0.666667 0.449998 Zn\n0.666667 0.333333 0.200003 Zn\n0.666667 0.333333 0.650003 Zn\n0.333333 0.666667 0.700003 Zn\n0.000000 0.000000 0.600003 Zn\n0.666667 0.333333 0.949998 Zn\n0.000000 0.000000 0.100003 Zn\n0.666667 0.333333 0.350003 Zn\n0.666667 0.333333 0.050014 Zn\n0.000000 0.000000 0.900003 Zn\n0.333333 0.666667 0.550014 Zn\n0.000000 0.000000 0.250003 Zn\n0.333333 0.666667 0.850003 Zn\n0.000000 0.000000 0.750003 Zn\n0.666667 0.333333 0.500000 Zn\n0.333333 0.666667 0.150003 Zn\n0.666667 0.333333 0.800003 Zn\n0.333333 0.666667 0.300003 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.237497 S\n0.666667 0.333333 0.837497 S\n0.333333 0.666667 0.887497 S\n0.333333 0.666667 0.337497 S\n0.000000 0.000000 0.787496 S\n0.666667 0.333333 0.087495 S\n0.333333 0.666667 0.487467 S\n0.000000 0.000000 0.287496 S\n0.000000 0.000000 0.137496 S\n0.666667 0.333333 0.687497 S\n0.333333 0.666667 0.037529 S\n0.666667 0.333333 0.987467 S\n0.666667 0.333333 0.537529 S\n0.666667 0.333333 0.387497 S\n0.333333 0.666667 0.737497 S\n0.333333 0.666667 0.187497 S\n0.000000 0.000000 0.637496 S\n0.333333 0.666667 0.587495 S\n0.000000 0.000000 0.937496 S\n0.000000 0.000000 0.437496 S\n",
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{
"id": "mp-24574",
"created_at": "2022-09-04T14:41:51.780911Z",
"structure_string": "Nd4 H20 Se8 O32\n1.0\n6.858705 0.000000 0.000000\n0.000000 7.187691 0.000000\n0.000000 0.000000 16.430426\nNd H Se O\n4 20 8 32\ndirect\n0.372387 0.619105 0.785332 Nd\n0.872387 0.880895 0.214668 Nd\n0.627613 0.119105 0.714668 Nd\n0.127613 0.380895 0.285332 Nd\n0.058463 0.243457 0.604619 H\n0.558463 0.256543 0.395381 H\n0.941537 0.743457 0.895381 H\n0.441537 0.756543 0.104619 H\n0.176866 0.416693 0.575098 H\n0.676866 0.083307 0.424902 H\n0.823134 0.916693 0.924902 H\n0.323134 0.583307 0.075098 H\n0.400966 0.771195 0.963060 H\n0.900966 0.728805 0.036940 H\n0.599034 0.271195 0.536940 H\n0.099034 0.228805 0.463060 H\n0.482024 0.929684 0.900958 H\n0.982024 0.570316 0.099042 H\n0.517976 0.429684 0.599042 H\n0.017976 0.070316 0.400958 H\n0.702482 0.175912 0.047189 H\n0.202482 0.324088 0.952811 H\n0.297518 0.675912 0.452811 H\n0.797518 0.824088 0.547189 H\n0.631955 0.318641 0.924296 Se\n0.131955 0.181359 0.075704 Se\n0.368045 0.818641 0.575704 Se\n0.868045 0.681359 0.424296 Se\n0.841240 0.621010 0.728700 Se\n0.341240 0.878990 0.271300 Se\n0.158760 0.121010 0.771300 Se\n0.658760 0.378990 0.228700 Se\n0.091636 0.316724 0.555834 O\n0.591636 0.183276 0.444166 O\n0.908364 0.816724 0.944166 O\n0.408364 0.683276 0.055834 O\n0.399041 0.817245 0.905215 O\n0.899041 0.682755 0.094785 O\n0.600959 0.317245 0.594785 O\n0.100959 0.182755 0.405215 O\n0.575065 0.215672 0.021362 O\n0.075065 0.284328 0.978638 O\n0.424935 0.715672 0.478638 O\n0.924935 0.784328 0.521362 O\n0.639880 0.117822 0.866495 O\n0.139880 0.382178 0.133505 O\n0.360120 0.617822 0.633505 O\n0.860120 0.882178 0.366495 O\n0.404516 0.406347 0.905349 O\n0.904516 0.093653 0.094651 O\n0.595484 0.906347 0.594651 O\n0.095484 0.593653 0.405349 O\n0.687588 0.443307 0.762808 O\n0.187588 0.056693 0.237192 O\n0.312412 0.943307 0.737192 O\n0.812412 0.556693 0.262808 O\n0.023701 0.622979 0.800202 O\n0.523701 0.877021 0.199798 O\n0.976299 0.122979 0.699798 O\n0.476299 0.377021 0.300202 O\n0.689705 0.797470 0.762758 O\n0.189705 0.702530 0.237242 O\n0.310295 0.297470 0.737242 O\n0.810295 0.202530 0.262758 O\n",
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"formula_full": "Nd4 H20 Se8 O32",
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"spacegroup": 19
},
{
"id": "mp-1208196",
"created_at": "2022-09-04T14:44:58.056520Z",
"structure_string": "Y4 Rh6 Pb19\n1.0\n-5.872355 5.872355 5.872355\n5.872355 -5.872355 5.872355\n5.872355 5.872355 -5.872355\nY Rh Pb\n4 6 19\ndirect\n0.649600 0.649600 0.649600 Y\n0.350400 0.000000 0.000000 Y\n0.000000 0.350400 0.000000 Y\n0.000000 0.000000 0.350400 Y\n0.380299 0.880299 0.500000 Rh\n0.619701 0.119701 0.500000 Rh\n0.880299 0.500000 0.380299 Rh\n0.119701 0.500000 0.619701 Rh\n0.500000 0.380299 0.880299 Rh\n0.500000 0.619701 0.119701 Rh\n0.699526 0.699526 0.000000 Pb\n0.300474 0.300474 0.000000 Pb\n0.699526 0.000000 0.699526 Pb\n0.300474 0.000000 0.300474 Pb\n0.000000 0.699526 0.699526 Pb\n0.000000 0.300474 0.300474 Pb\n0.000000 0.000000 0.000000 Pb\n0.361121 0.595317 0.327762 Pb\n0.638879 0.966641 0.234196 Pb\n0.732445 0.404683 0.765804 Pb\n0.595317 0.327762 0.361121 Pb\n0.267555 0.033359 0.672238 Pb\n0.966641 0.234196 0.638879 Pb\n0.404683 0.765804 0.732445 Pb\n0.033359 0.672238 0.267555 Pb\n0.327762 0.361121 0.595317 Pb\n0.765804 0.732445 0.404683 Pb\n0.672238 0.267555 0.033359 Pb\n0.234196 0.638879 0.966641 Pb\n",
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{
"id": "mp-761238",
"created_at": "2022-09-04T14:42:23.293464Z",
"structure_string": "Li6 Mn3 V3 P12 O42\n1.0\n4.870329 0.000000 0.000000\n2.280824 6.697380 0.000000\n0.105573 0.182172 24.833497\nLi Mn V P O\n6 3 3 12 42\ndirect\n0.174287 0.326823 0.620496 Li\n0.172259 0.325136 0.953344 Li\n0.176905 0.325979 0.287055 Li\n0.823821 0.675013 0.119994 Li\n0.821923 0.674235 0.453644 Li\n0.827211 0.674617 0.786524 Li\n0.212395 0.272253 0.832927 Mn\n0.787155 0.730906 0.665978 Mn\n0.785559 0.727297 0.999978 Mn\n0.215588 0.274004 0.166729 V\n0.213276 0.270851 0.499545 V\n0.784604 0.728516 0.333170 V\n0.402031 0.477173 0.059050 P\n0.400419 0.476430 0.393399 P\n0.401700 0.483574 0.725639 P\n0.213677 0.914185 0.261183 P\n0.214844 0.910524 0.595161 P\n0.213863 0.908462 0.929153 P\n0.789060 0.087011 0.095672 P\n0.786697 0.085755 0.428159 P\n0.786773 0.091307 0.762767 P\n0.599634 0.524088 0.226758 P\n0.600379 0.517948 0.560157 P\n0.599241 0.516367 0.892490 P\n0.048760 0.154362 0.108570 O\n0.055085 0.150174 0.776331 O\n0.049759 0.147583 0.441414 O\n0.128470 0.109842 0.900918 O\n0.133775 0.114798 0.232067 O\n0.132271 0.110365 0.565509 O\n0.187165 0.517580 0.011901 O\n0.191275 0.519703 0.677712 O\n0.187226 0.517447 0.345995 O\n0.249499 0.506670 0.779810 O\n0.250372 0.494731 0.113975 O\n0.247119 0.492418 0.447684 O\n0.396583 0.397335 0.225924 O\n0.392156 0.394725 0.558350 O\n0.392002 0.391108 0.890372 O\n0.600283 0.087678 0.145582 O\n0.600668 0.083288 0.478060 O\n0.597166 0.091148 0.812428 O\n0.597245 0.247512 0.051109 O\n0.596274 0.247304 0.384366 O\n0.599096 0.252443 0.718522 O\n0.404683 0.754010 0.217738 O\n0.402925 0.748602 0.885277 O\n0.403695 0.749549 0.552083 O\n0.398028 0.915713 0.311139 O\n0.398974 0.913744 0.644860 O\n0.401786 0.907883 0.978985 O\n0.603453 0.606510 0.058067 O\n0.603038 0.603790 0.392433 O\n0.607900 0.610030 0.723655 O\n0.752183 0.506784 0.281273 O\n0.755123 0.495034 0.613859 O\n0.750188 0.491868 0.946789 O\n0.812888 0.484904 0.179433 O\n0.810195 0.482392 0.511929 O\n0.810623 0.481814 0.844514 O\n0.873102 0.886295 0.068050 O\n0.872140 0.891073 0.734581 O\n0.866408 0.886175 0.399062 O\n0.949619 0.852112 0.274586 O\n0.943047 0.855401 0.608918 O\n0.944452 0.849650 0.942784 O\n",
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"formula_full": "Li6 Mn3 V3 P12 O42",
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{
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"structure_string": "K8 La1 P4 S16\n1.0\n-4.476268 4.923478 9.188878\n4.476268 -4.923478 9.188878\n4.476268 4.923478 -9.188878\nK La P S\n8 1 4 16\ndirect\n0.255121 0.755121 0.500000 K\n0.744879 0.244879 0.500000 K\n0.234239 0.234239 0.000000 K\n0.765761 0.765761 0.000000 K\n0.322114 0.711900 0.874169 K\n0.162269 0.288100 0.610214 K\n0.677886 0.552055 0.389786 K\n0.837731 0.447945 0.125831 K\n0.500000 0.000000 0.500000 La\n0.618724 0.080163 0.951927 P\n0.871763 0.919837 0.538561 P\n0.381276 0.333203 0.461439 P\n0.128237 0.666797 0.048073 P\n0.502039 0.219109 0.871181 S\n0.652072 0.780891 0.282930 S\n0.497961 0.369142 0.717070 S\n0.347928 0.630858 0.128819 S\n0.997770 0.777959 0.607780 S\n0.829821 0.222041 0.219811 S\n0.002230 0.610010 0.780189 S\n0.170179 0.389990 0.392220 S\n0.508352 0.011399 0.992337 S\n0.980939 0.988601 0.496954 S\n0.491648 0.483985 0.503046 S\n0.019061 0.516015 0.007663 S\n0.159391 0.912198 0.284449 S\n0.372251 0.087802 0.247193 S\n0.840609 0.125058 0.752807 S\n0.627750 0.874942 0.715551 S\n",
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{
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"created_at": "2022-09-04T14:47:07.133115Z",
"structure_string": "Mn4 Hg2 C20 O20\n1.0\n6.407499 0.000000 0.000000\n0.000000 6.607721 0.000000\n0.000000 1.871996 19.132963\nMn Hg C O\n4 2 20 20\ndirect\n0.151601 0.187916 0.878933 Mn\n0.651601 0.812084 0.621067 Mn\n0.848399 0.812084 0.121067 Mn\n0.348399 0.187916 0.378933 Mn\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.256383 0.316772 0.798726 C\n0.756383 0.683228 0.701274 C\n0.743617 0.683228 0.201274 C\n0.243617 0.316772 0.298726 C\n0.374509 0.240418 0.935474 C\n0.874509 0.759582 0.564526 C\n0.625491 0.759582 0.064526 C\n0.125491 0.240418 0.435474 C\n0.269256 0.937036 0.867198 C\n0.769256 0.062964 0.632802 C\n0.730744 0.062964 0.132802 C\n0.230744 0.937036 0.367198 C\n0.905717 0.106143 0.839689 C\n0.405717 0.893857 0.660311 C\n0.094283 0.893857 0.160311 C\n0.594283 0.106143 0.339689 C\n0.011514 0.413192 0.905394 C\n0.511514 0.586808 0.594606 C\n0.988486 0.586808 0.094606 C\n0.488486 0.413192 0.405394 C\n0.323190 0.400022 0.747623 O\n0.823190 0.599978 0.752377 O\n0.676810 0.599978 0.252377 O\n0.176810 0.400022 0.247623 O\n0.516293 0.271204 0.970675 O\n0.016293 0.728796 0.529325 O\n0.483707 0.728796 0.029325 O\n0.983707 0.271204 0.470675 O\n0.344665 0.781614 0.859017 O\n0.844665 0.218386 0.640983 O\n0.655335 0.218386 0.140983 O\n0.155335 0.781614 0.359017 O\n0.751734 0.056613 0.814474 O\n0.251734 0.943387 0.685526 O\n0.248266 0.943387 0.185526 O\n0.748266 0.056613 0.314474 O\n0.922054 0.554755 0.920850 O\n0.422054 0.445245 0.579150 O\n0.077946 0.445245 0.079150 O\n0.577946 0.554755 0.420850 O\n",
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{
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"structure_string": "Cs2 Nd2 Te8\n1.0\n-5.726220 -5.726220 0.000000\n-5.726220 5.726220 0.000000\n0.000000 0.000000 -12.352567\nCs Nd Te\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.000000 Nd\n0.000000 0.500000 0.000000 Nd\n0.000000 0.313729 0.785018 Te\n0.000000 0.686271 0.785018 Te\n0.313729 0.000000 0.785018 Te\n0.686271 0.000000 0.214982 Te\n0.000000 0.686271 0.214982 Te\n0.686271 0.000000 0.785018 Te\n0.313729 0.000000 0.214982 Te\n0.000000 0.313729 0.214982 Te\n",
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