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{
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{
"id": "mp-652961",
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"structure_string": "La6 Ga2 Ge10 O32\n1.0\n-4.888958 0.000000 0.000000\n-0.005554 -8.213026 0.000000\n1.183606 0.205445 15.820488\nLa Ga Ge O\n6 2 10 32\ndirect\n0.022274 0.134707 0.249482 La\n0.026919 0.735811 0.454940 La\n0.973081 0.264189 0.545060 La\n0.021330 0.737675 0.035403 La\n0.977726 0.865293 0.750518 La\n0.978670 0.262325 0.964597 La\n0.506364 0.193325 0.743405 Ga\n0.493636 0.806675 0.256595 Ga\n0.520165 0.944408 0.911496 Ge\n0.009743 0.567382 0.243872 Ge\n0.484224 0.944135 0.585649 Ge\n0.478615 0.437867 0.126080 Ge\n0.552997 0.433273 0.361343 Ge\n0.990257 0.432618 0.756128 Ge\n0.515776 0.055865 0.414351 Ge\n0.447003 0.566727 0.638657 Ge\n0.479835 0.055592 0.088504 Ge\n0.521385 0.562133 0.873920 Ge\n0.129013 0.918806 0.594668 O\n0.207165 0.720764 0.186481 O\n0.689940 0.065642 0.663677 O\n0.189122 0.282713 0.692501 O\n0.810878 0.717287 0.307499 O\n0.238356 0.523310 0.546412 O\n0.118749 0.062831 0.094750 O\n0.748460 0.521845 0.961941 O\n0.744902 0.584239 0.147172 O\n0.792835 0.279236 0.813519 O\n0.761644 0.476690 0.453588 O\n0.667974 0.251567 0.109719 O\n0.870987 0.081194 0.405332 O\n0.551082 0.854427 0.481635 O\n0.713908 0.417957 0.658219 O\n0.310060 0.934358 0.336323 O\n0.546489 0.864627 0.033266 O\n0.795776 0.393420 0.282600 O\n0.448918 0.145573 0.518365 O\n0.453511 0.135373 0.966734 O\n0.332026 0.748433 0.890281 O\n0.604361 0.992355 0.196681 O\n0.204224 0.606580 0.717400 O\n0.255098 0.415761 0.852828 O\n0.762502 0.607533 0.796596 O\n0.395639 0.007645 0.803319 O\n0.371312 0.244866 0.360746 O\n0.286092 0.582043 0.341781 O\n0.881251 0.937169 0.905250 O\n0.237498 0.392467 0.203404 O\n0.251540 0.478155 0.038059 O\n0.628688 0.755134 0.639254 O\n",
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"Ga",
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],
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"formula_full": "La6 Ga2 Ge10 O32",
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},
{
"id": "mp-769536",
"created_at": "2022-09-04T14:45:26.678202Z",
"structure_string": "Na10 Mn4 P4 C4 O28\n1.0\n5.237410 0.000000 0.000000\n0.114189 9.025009 0.000000\n0.011965 0.015796 13.486596\nNa Mn P C O\n10 4 4 4 28\ndirect\n0.241951 0.919224 0.373900 Na\n0.756305 0.750106 0.755097 Na\n0.757841 0.762096 0.996263 Na\n0.753610 0.749057 0.249862 Na\n0.752895 0.740802 0.499323 Na\n0.242159 0.237904 0.003737 Na\n0.243695 0.249894 0.244903 Na\n0.247105 0.259198 0.500677 Na\n0.246390 0.250943 0.750138 Na\n0.758049 0.080776 0.626100 Na\n0.222608 0.644843 0.123673 Mn\n0.220773 0.641019 0.626087 Mn\n0.777392 0.355157 0.876327 Mn\n0.779227 0.358981 0.373913 Mn\n0.295224 0.577421 0.875981 P\n0.297101 0.585522 0.373888 P\n0.704776 0.422579 0.124019 P\n0.702899 0.414478 0.626112 P\n0.275756 0.925287 0.124859 C\n0.266081 0.938522 0.624597 C\n0.733919 0.061478 0.375403 C\n0.724244 0.074713 0.875141 C\n0.729391 0.935394 0.871964 O\n0.714835 0.918783 0.376705 O\n0.060708 0.848128 0.123481 O\n0.042565 0.876681 0.624254 O\n0.470104 0.854206 0.624561 O\n0.479920 0.842373 0.124883 O\n0.223364 0.668598 0.783795 O\n0.227333 0.667590 0.970075 O\n0.217256 0.678291 0.280373 O\n0.211918 0.679394 0.464985 O\n0.596257 0.548531 0.874438 O\n0.593760 0.568542 0.375161 O\n0.835641 0.576008 0.123178 O\n0.824557 0.569922 0.626865 O\n0.164359 0.423992 0.876822 O\n0.175443 0.430078 0.373135 O\n0.403743 0.451469 0.125562 O\n0.406240 0.431458 0.624839 O\n0.772667 0.332410 0.029925 O\n0.776636 0.331402 0.216205 O\n0.788082 0.320606 0.535015 O\n0.782744 0.321709 0.719627 O\n0.520080 0.157627 0.875117 O\n0.529896 0.145794 0.375439 O\n0.939292 0.151872 0.876519 O\n0.957435 0.123319 0.375746 O\n0.270609 0.064606 0.128036 O\n0.285165 0.081217 0.623295 O\n",
"nsites": 50,
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"formula_full": "Na10 Mn4 P4 C4 O28",
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"spacegroup": 2
},
{
"id": "mp-1190639",
"created_at": "2022-09-04T14:45:26.904602Z",
"structure_string": "Cs2 K4 Fe6 P8 Cl2 O28\n1.0\n-5.545894 7.624846 0.090731\n-0.027547 -0.058320 9.835750\n4.930007 7.612641 2.665280\nCs K Fe P Cl O\n2 4 6 8 2 28\ndirect\n0.250006 0.999997 0.250001 Cs\n0.749993 0.000003 0.749999 Cs\n0.971592 0.671048 0.116766 K\n0.471597 0.671042 0.616841 K\n0.028394 0.328979 0.883140 K\n0.528412 0.328963 0.383230 K\n0.749995 0.999950 0.249974 Fe\n0.280360 0.411475 0.110263 Fe\n0.219560 0.588501 0.389723 Fe\n0.249951 0.999959 0.750016 Fe\n0.780433 0.411541 0.610203 Fe\n0.719567 0.588499 0.889795 Fe\n0.075911 0.705455 0.707103 P\n0.575811 0.705540 0.207118 P\n0.924092 0.294417 0.292963 P\n0.424098 0.294520 0.792891 P\n0.909711 0.745759 0.493321 P\n0.409795 0.745743 0.993289 P\n0.090201 0.254289 0.506745 P\n0.590287 0.254271 0.006689 P\n0.999988 0.000009 0.999980 Cl\n0.500009 0.999996 0.500020 Cl\n0.995859 0.806606 0.591493 O\n0.495828 0.806715 0.091434 O\n0.004157 0.193293 0.408560 O\n0.504149 0.193395 0.908493 O\n0.943423 0.619646 0.854912 O\n0.443430 0.619827 0.354894 O\n0.056662 0.380111 0.145102 O\n0.556571 0.380361 0.645095 O\n0.168190 0.807309 0.743849 O\n0.668268 0.807431 0.243707 O\n0.831735 0.192574 0.256298 O\n0.331794 0.192692 0.756154 O\n0.171344 0.608515 0.617560 O\n0.671229 0.608543 0.117567 O\n0.828784 0.391465 0.382402 O\n0.328601 0.391537 0.882410 O\n0.792783 0.621866 0.618733 O\n0.293005 0.621753 0.118727 O\n0.207045 0.378237 0.381287 O\n0.707248 0.378165 0.881242 O\n0.034904 0.690740 0.373046 O\n0.535016 0.690834 0.872975 O\n0.964994 0.309172 0.627020 O\n0.465219 0.309267 0.126977 O\n0.841520 0.872976 0.421896 O\n0.341439 0.872854 0.921852 O\n0.158537 0.127139 0.578161 O\n0.658501 0.127021 0.078084 O\n",
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"elements": [
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],
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"formula_full": "Cs2 K4 Fe6 P8 Cl2 O28",
"formula_reduced": "CsK2Fe3P4ClO14",
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},
{
"id": "mp-769122",
"created_at": "2022-09-04T14:42:23.056620Z",
"structure_string": "Li8 Sb4 H12 O6 F20\n1.0\n16.676074 0.000000 0.000000\n0.000000 5.675247 0.000000\n0.000000 0.003509 5.684596\nLi Sb H O F\n8 4 12 6 20\ndirect\n0.000318 0.751567 0.247732 Li\n0.499682 0.751567 0.247732 Li\n0.388743 0.745033 0.748936 Li\n0.111257 0.745033 0.748936 Li\n0.611257 0.254967 0.251064 Li\n0.888743 0.254967 0.251064 Li\n0.999682 0.248433 0.752268 Li\n0.500318 0.248433 0.752268 Li\n0.628892 0.740749 0.740316 Sb\n0.871108 0.740749 0.740316 Sb\n0.371108 0.259251 0.259684 Sb\n0.128892 0.259251 0.259684 Sb\n0.796245 0.866660 0.220907 H\n0.703755 0.866660 0.220907 H\n0.296365 0.791151 0.144947 H\n0.203635 0.791151 0.144947 H\n0.250000 0.732340 0.543296 H\n0.250000 0.534117 0.738392 H\n0.750000 0.465883 0.261608 H\n0.750000 0.267660 0.456704 H\n0.796365 0.208849 0.855053 H\n0.703635 0.208849 0.855053 H\n0.296245 0.133340 0.779093 H\n0.203755 0.133340 0.779093 H\n0.750000 0.770538 0.268700 O\n0.250000 0.747021 0.242860 O\n0.250000 0.708647 0.715772 O\n0.750000 0.291353 0.284228 O\n0.750000 0.252979 0.757140 O\n0.250000 0.229462 0.731300 O\n0.867156 0.013311 0.003904 F\n0.632844 0.013311 0.003904 F\n0.901603 0.993708 0.485068 F\n0.598397 0.993708 0.485068 F\n0.512821 0.818707 0.806531 F\n0.987179 0.818707 0.806531 F\n0.921672 0.499558 0.502275 F\n0.578328 0.499558 0.502275 F\n0.906601 0.492524 0.997521 F\n0.593399 0.492524 0.997521 F\n0.406601 0.507476 0.002479 F\n0.093399 0.507476 0.002479 F\n0.421672 0.500442 0.497725 F\n0.078328 0.500442 0.497725 F\n0.012821 0.181293 0.193469 F\n0.487179 0.181293 0.193469 F\n0.401603 0.006292 0.514932 F\n0.098397 0.006292 0.514932 F\n0.367156 0.986689 0.996096 F\n0.132844 0.986689 0.996096 F\n",
"nsites": 50,
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},
{
"id": "mp-1195652",
"created_at": "2022-09-04T14:42:23.363283Z",
"structure_string": "Lu2 H18 C10 N4 O16\n1.0\n-6.692896 0.000000 0.000000\n0.000000 0.000000 -8.511262\n3.346448 -9.099040 0.000000\nLu H C N O\n2 18 10 4 16\ndirect\n0.857983 0.750000 0.715967 Lu\n0.142017 0.250000 0.284033 Lu\n0.926112 0.561453 0.419514 H\n0.506599 0.438547 0.580486 H\n0.073888 0.061453 0.580486 H\n0.493401 0.938547 0.419514 H\n0.312779 0.750000 0.625559 H\n0.687221 0.250000 0.374441 H\n0.234743 0.000000 0.000000 H\n0.765257 0.500000 0.000000 H\n0.647042 0.170221 0.989405 H\n0.657637 0.829779 0.010595 H\n0.352958 0.670221 0.010595 H\n0.342363 0.329779 0.989405 H\n0.643564 0.101270 0.814767 H\n0.828797 0.898730 0.185233 H\n0.356436 0.601270 0.185233 H\n0.171203 0.398730 0.814767 H\n0.344659 0.250000 0.689317 H\n0.655341 0.750000 0.310683 H\n0.994377 0.476451 0.510358 C\n0.484018 0.523549 0.489642 C\n0.005623 0.976451 0.489642 C\n0.515982 0.023549 0.510358 C\n0.373600 0.750000 0.747199 C\n0.626400 0.250000 0.252801 C\n0.069524 0.000000 0.000000 C\n0.930476 0.500000 0.000000 C\n0.404909 0.250000 0.809819 C\n0.595091 0.750000 0.190181 C\n0.575449 0.165653 0.876784 N\n0.698665 0.834347 0.123216 N\n0.424551 0.665653 0.123216 N\n0.301335 0.334347 0.876784 N\n0.239122 0.764293 0.812146 O\n0.426977 0.235707 0.187854 O\n0.760878 0.264293 0.187854 O\n0.573023 0.735707 0.812146 O\n0.929665 0.925139 0.899802 O\n0.029863 0.074861 0.100198 O\n0.070335 0.425139 0.100198 O\n0.970137 0.574861 0.899802 O\n0.994291 0.516052 0.636376 O\n0.357915 0.483948 0.363624 O\n0.005709 0.016052 0.363624 O\n0.642085 0.983948 0.636376 O\n0.586216 0.652023 0.518684 O\n0.067532 0.347977 0.481316 O\n0.413784 0.152023 0.481316 O\n0.932468 0.847977 0.518684 O\n",
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"formula_full": "Lu2 H18 C10 N4 O16",
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{
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"structure_string": "Hf8 Ti2 Pb10 O30\n1.0\n5.871517 0.000000 0.000000\n2.882233 9.662933 0.000000\n2.790645 2.674033 12.460219\nHf Ti Pb O\n8 2 10 30\ndirect\n0.431564 0.296633 0.890760 Hf\n0.230867 0.898795 0.692116 Hf\n0.031542 0.496309 0.493079 Hf\n0.828853 0.097891 0.292878 Hf\n0.031680 0.996047 0.993169 Hf\n0.829248 0.597865 0.793022 Hf\n0.431078 0.796800 0.390823 Hf\n0.231462 0.398822 0.192302 Hf\n0.639230 0.696666 0.090682 Ti\n0.639133 0.196989 0.590380 Ti\n0.278668 0.644354 0.934354 Pb\n0.087854 0.242093 0.726985 Pb\n0.876995 0.845858 0.530556 Pb\n0.674153 0.446707 0.329001 Pb\n0.477694 0.037820 0.130265 Pb\n0.674121 0.946854 0.828949 Pb\n0.477274 0.538433 0.629898 Pb\n0.278815 0.143902 0.434756 Pb\n0.087654 0.742404 0.226802 Pb\n0.876389 0.345758 0.030962 Pb\n0.986046 0.264621 0.236635 O\n0.782159 0.854065 0.039935 O\n0.587795 0.463395 0.838531 O\n0.391588 0.064876 0.635998 O\n0.188933 0.660699 0.437407 O\n0.903351 0.028560 0.153516 O\n0.700944 0.632870 0.958930 O\n0.505929 0.229182 0.749118 O\n0.302267 0.830276 0.551811 O\n0.100940 0.430520 0.351864 O\n0.110456 0.958215 0.360562 O\n0.898600 0.564010 0.155818 O\n0.710200 0.154736 0.960929 O\n0.510343 0.759668 0.760282 O\n0.315415 0.354422 0.559952 O\n0.689044 0.168798 0.446995 O\n0.493344 0.766582 0.236850 O\n0.289312 0.368843 0.039038 O\n0.088513 0.967898 0.839595 O\n0.890914 0.566152 0.640776 O\n0.497967 0.234114 0.247844 O\n0.303173 0.829741 0.047552 O\n0.097525 0.432768 0.847736 O\n0.887045 0.040398 0.643862 O\n0.697565 0.629625 0.448165 O\n0.613114 0.950520 0.363874 O\n0.415761 0.552715 0.160615 O\n0.214710 0.148000 0.962855 O\n0.011220 0.752503 0.761802 O\n0.805554 0.342227 0.563415 O\n",
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