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{
"id": "mp-14511",
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"structure_string": "Na12 Al12 Ge12 O48\n1.0\n8.384986 0.000000 0.000000\n0.000000 8.908291 0.000000\n0.000000 8.879638 15.633142\nNa Al Ge O\n12 12 12 48\ndirect\n0.023696 0.713214 0.065428 Na\n0.523696 0.286786 0.434572 Na\n0.976304 0.286786 0.934572 Na\n0.476304 0.713214 0.565428 Na\n0.468927 0.640680 0.089697 Na\n0.968927 0.359320 0.410303 Na\n0.531073 0.359320 0.910303 Na\n0.031073 0.640680 0.589697 Na\n0.447987 0.002864 0.253273 Na\n0.947987 0.997136 0.246727 Na\n0.552013 0.997136 0.746727 Na\n0.052013 0.002864 0.753273 Na\n0.166071 0.347758 0.091965 Al\n0.666071 0.652242 0.408035 Al\n0.833929 0.652242 0.908035 Al\n0.333929 0.347758 0.591965 Al\n0.169374 0.977152 0.422515 Al\n0.669374 0.022848 0.077485 Al\n0.830626 0.022848 0.577485 Al\n0.330626 0.977152 0.922515 Al\n0.170091 0.685397 0.236943 Al\n0.670091 0.314603 0.263057 Al\n0.829909 0.314603 0.763057 Al\n0.329909 0.685397 0.736943 Al\n0.283566 0.030041 0.078478 Ge\n0.783566 0.969959 0.421522 Ge\n0.716434 0.969959 0.921522 Ge\n0.216434 0.030041 0.578478 Ge\n0.278727 0.651659 0.409961 Ge\n0.778727 0.348341 0.090039 Ge\n0.721273 0.348341 0.590039 Ge\n0.221273 0.651659 0.909961 Ge\n0.282900 0.315319 0.266292 Ge\n0.782900 0.684681 0.233708 Ge\n0.717100 0.684681 0.733708 Ge\n0.217100 0.315319 0.766292 Ge\n0.471753 0.591957 0.394314 O\n0.971753 0.408043 0.105686 O\n0.528247 0.408043 0.605686 O\n0.028247 0.591957 0.894314 O\n0.477393 0.117275 0.050498 O\n0.977393 0.882725 0.449502 O\n0.522607 0.882725 0.949502 O\n0.022607 0.117275 0.550498 O\n0.477495 0.262238 0.309641 O\n0.977495 0.737762 0.190359 O\n0.522505 0.737762 0.690359 O\n0.022505 0.262238 0.809641 O\n0.148902 0.599218 0.348775 O\n0.648902 0.400782 0.151225 O\n0.851098 0.400782 0.651225 O\n0.351098 0.599218 0.848775 O\n0.151492 0.203842 0.050872 O\n0.651492 0.796158 0.449128 O\n0.848508 0.796158 0.949128 O\n0.348508 0.203842 0.550872 O\n0.272307 0.876991 0.372375 O\n0.153170 0.203970 0.354265 O\n0.846830 0.796030 0.645735 O\n0.346830 0.203970 0.854265 O\n0.267779 0.541971 0.020537 O\n0.767779 0.458029 0.479463 O\n0.732221 0.458029 0.979463 O\n0.232221 0.541971 0.520537 O\n0.232824 0.923411 0.020587 O\n0.732824 0.076589 0.479413 O\n0.767176 0.076589 0.979413 O\n0.267176 0.923411 0.520587 O\n0.257824 0.541043 0.208060 O\n0.757824 0.458957 0.291940 O\n0.742176 0.458957 0.791940 O\n0.242176 0.541043 0.708060 O\n0.237729 0.239010 0.692534 O\n0.737729 0.760990 0.807466 O\n0.762271 0.760990 0.307466 O\n0.262271 0.239010 0.192534 O\n0.222969 0.882576 0.689732 O\n0.722969 0.117424 0.810268 O\n0.777031 0.117424 0.310268 O\n0.277031 0.882576 0.189732 O\n0.227693 0.876991 0.872375 O\n0.727693 0.123009 0.627625 O\n0.772307 0.123009 0.127625 O\n0.653170 0.796030 0.145735 O\n",
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{
"id": "mp-559561",
"created_at": "2022-09-04T14:42:50.622953Z",
"structure_string": "Na16 Mo4 S12 O56\n1.0\n8.626432 0.000000 0.000000\n0.000000 9.470548 0.000000\n0.000000 0.000000 15.349299\nNa Mo S O\n16 4 12 56\ndirect\n0.805672 0.759917 0.317380 Na\n0.199941 0.580379 0.338300 Na\n0.432147 0.965862 0.287756 Na\n0.829989 0.486031 0.969364 Na\n0.329989 0.013969 0.030636 Na\n0.194328 0.259917 0.182620 Na\n0.800059 0.080379 0.161700 Na\n0.067853 0.034138 0.787756 Na\n0.305672 0.740083 0.682620 Na\n0.699941 0.919621 0.661700 Na\n0.567853 0.465862 0.212244 Na\n0.932147 0.534138 0.712244 Na\n0.170011 0.986031 0.530636 Na\n0.300059 0.419621 0.838300 Na\n0.670011 0.513969 0.469364 Na\n0.694328 0.240083 0.817380 Na\n0.725773 0.891539 0.926872 Mo\n0.774227 0.108461 0.426872 Mo\n0.225773 0.608461 0.073128 Mo\n0.274227 0.391539 0.573128 Mo\n0.421872 0.297059 0.381539 S\n0.578128 0.797059 0.118461 S\n0.372945 0.123240 0.703808 S\n0.472039 0.356531 0.015639 S\n0.972039 0.143469 0.984361 S\n0.127055 0.876760 0.203808 S\n0.627055 0.623240 0.796192 S\n0.027961 0.643469 0.515639 S\n0.921872 0.202941 0.618461 S\n0.872945 0.376760 0.296192 S\n0.527961 0.856531 0.484361 S\n0.078128 0.702941 0.881539 S\n0.498404 0.796767 0.570731 O\n0.704733 0.778480 0.050911 O\n0.393575 0.257124 0.074960 O\n0.426919 0.758721 0.075402 O\n0.703434 0.030449 0.331457 O\n0.052822 0.520759 0.056538 O\n0.881612 0.278860 0.377332 O\n0.645462 0.980655 0.504720 O\n0.145462 0.519345 0.495280 O\n0.568867 0.947151 0.145050 O\n0.431133 0.447151 0.354950 O\n0.501596 0.296767 0.929269 O\n0.464976 0.594541 0.772705 O\n0.926919 0.741279 0.924598 O\n0.073081 0.241279 0.575402 O\n0.109458 0.079616 0.943465 O\n0.786546 0.301887 0.227799 O\n0.947178 0.020759 0.443462 O\n0.204733 0.721520 0.949089 O\n0.618388 0.721140 0.877332 O\n0.893575 0.242876 0.925040 O\n0.106425 0.742876 0.574960 O\n0.964976 0.905459 0.227295 O\n0.354538 0.480655 0.995280 O\n0.890542 0.579616 0.556535 O\n0.296566 0.530449 0.168543 O\n0.606425 0.757124 0.425040 O\n0.609458 0.420384 0.056535 O\n0.203434 0.469551 0.668543 O\n0.289585 0.994574 0.676427 O\n0.118388 0.778860 0.122668 O\n0.931133 0.052849 0.645050 O\n0.112535 0.793985 0.806473 O\n0.796566 0.969551 0.831457 O\n0.447178 0.479241 0.556538 O\n0.998404 0.703233 0.429269 O\n0.710415 0.494574 0.823573 O\n0.068867 0.552849 0.854950 O\n0.854538 0.019345 0.004720 O\n0.390542 0.920384 0.443465 O\n0.387465 0.206015 0.306473 O\n0.035024 0.405459 0.272705 O\n0.887465 0.293985 0.693527 O\n0.535024 0.094541 0.727295 O\n0.381612 0.221140 0.622668 O\n0.295267 0.278480 0.449089 O\n0.001596 0.203233 0.070731 O\n0.286546 0.198113 0.772201 O\n0.612535 0.706015 0.193527 O\n0.552822 0.979241 0.943462 O\n0.789585 0.505426 0.323573 O\n0.210415 0.005426 0.176427 O\n0.795267 0.221520 0.550911 O\n0.213454 0.801887 0.272201 O\n0.573081 0.258721 0.424598 O\n0.713454 0.698113 0.727799 O\n",
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"formula_full": "Na16 Mo4 S12 O56",
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{
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"created_at": "2022-09-04T14:46:06.670595Z",
"structure_string": "Cd1 C60 N12\n1.0\n10.040216 0.000000 0.000000\n1.920189 10.177487 0.000000\n1.881204 2.008134 10.330712\nCd C N\n1 60 12\ndirect\n0.500000 0.000000 0.000000 Cd\n0.152003 0.265015 0.298917 C\n0.847997 0.734985 0.701083 C\n0.860853 0.324558 0.313855 C\n0.139147 0.675442 0.686145 C\n0.065904 0.186798 0.398876 C\n0.934096 0.813202 0.601124 C\n0.093223 0.455020 0.814097 C\n0.906777 0.544980 0.185903 C\n0.294176 0.268044 0.582898 C\n0.705824 0.731956 0.417102 C\n0.048092 0.153761 0.636965 C\n0.951908 0.846239 0.363035 C\n0.150758 0.739849 0.252784 C\n0.849242 0.260151 0.747216 C\n0.212016 0.391195 0.749096 C\n0.787984 0.608805 0.250904 C\n0.268444 0.281832 0.354302 C\n0.731556 0.718168 0.645698 C\n0.056238 0.599564 0.782246 C\n0.943762 0.400436 0.217754 C\n0.209718 0.266330 0.708441 C\n0.790282 0.733670 0.291559 C\n0.032013 0.603380 0.158764 C\n0.967987 0.396620 0.841236 C\n0.076613 0.784326 0.593637 C\n0.923387 0.215674 0.406363 C\n0.320917 0.402411 0.318941 C\n0.679083 0.597589 0.681059 C\n0.254638 0.213396 0.488829 C\n0.745362 0.786604 0.511171 C\n0.348038 0.393781 0.546071 C\n0.651962 0.606219 0.453929 C\n0.146391 0.495410 0.173699 C\n0.853609 0.504590 0.826301 C\n0.258787 0.511410 0.226627 C\n0.741213 0.488590 0.773373 C\n0.261021 0.636024 0.266925 C\n0.738979 0.363976 0.733075 C\n0.324320 0.603975 0.384458 C\n0.675680 0.396025 0.615542 C\n0.297530 0.469992 0.648672 C\n0.702470 0.530008 0.351328 C\n0.034123 0.723405 0.197621 C\n0.965877 0.276595 0.802379 C\n0.262147 0.609159 0.617921 C\n0.737853 0.390841 0.382079 C\n0.361096 0.459781 0.416462 C\n0.638904 0.540219 0.583538 C\n0.099673 0.815676 0.355325 C\n0.900327 0.184324 0.644675 C\n0.129575 0.155104 0.516217 C\n0.870425 0.844896 0.483783 C\n0.089067 0.210460 0.734545 C\n0.910933 0.789540 0.265455 C\n0.091876 0.370093 0.210160 C\n0.908124 0.629907 0.789840 C\n0.275479 0.677415 0.483177 C\n0.724521 0.322585 0.516823 C\n0.161160 0.785243 0.468356 C\n0.838840 0.214757 0.531644 C\n0.684270 0.046850 0.044003 N\n0.315730 0.953150 0.955997 N\n0.043908 0.092804 0.096296 N\n0.956092 0.907196 0.903704 N\n0.401433 0.204524 0.005860 N\n0.598567 0.795476 0.994140 N\n0.572709 0.052971 0.792410 N\n0.427291 0.947029 0.207590 N\n0.599580 0.094245 0.353121 N\n0.400420 0.905755 0.646879 N\n0.616232 0.370923 0.089739 N\n0.383768 0.629077 0.910261 N\n",
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{
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{
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