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{
"id": "mp-1229198",
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"structure_string": "Ba10 Co7 Ir3 O30\n1.0\n2.889012 5.001019 0.000000\n-2.889012 5.001019 0.000000\n0.000000 0.382938 23.948906\nBa Co Ir O\n10 7 3 30\ndirect\n0.000416 0.000416 0.749859 Ba\n0.998436 0.998436 0.253770 Ba\n0.333751 0.333751 0.043048 Ba\n0.667039 0.667039 0.958918 Ba\n0.665713 0.665713 0.540460 Ba\n0.335242 0.335242 0.453903 Ba\n0.333156 0.333156 0.636806 Ba\n0.666255 0.666255 0.355755 Ba\n0.665751 0.665751 0.143046 Ba\n0.334380 0.334380 0.862330 Ba\n0.333541 0.333541 0.309894 Co\n0.997526 0.997526 0.602648 Co\n0.002287 0.002287 0.393962 Co\n0.002220 0.002220 0.104003 Co\n0.999443 0.999443 0.896780 Co\n0.000325 0.000325 0.499232 Co\n0.999925 0.999925 0.000414 Co\n0.333779 0.333779 0.197285 Ir\n0.666618 0.666618 0.803404 Ir\n0.667212 0.667212 0.696562 Ir\n0.834689 0.834689 0.650038 O\n0.346213 0.827892 0.651055 O\n0.827892 0.346213 0.651055 O\n0.156549 0.156549 0.352253 O\n0.660430 0.167523 0.350079 O\n0.167523 0.660430 0.350079 O\n0.172241 0.172241 0.151880 O\n0.661207 0.167600 0.150102 O\n0.167600 0.661207 0.150102 O\n0.826596 0.826596 0.848972 O\n0.337625 0.832148 0.849445 O\n0.832148 0.337625 0.849445 O\n0.146847 0.146847 0.551259 O\n0.697843 0.148492 0.547544 O\n0.148492 0.697843 0.547544 O\n0.856464 0.856464 0.447255 O\n0.298094 0.853101 0.451066 O\n0.853101 0.298094 0.451066 O\n0.850700 0.850700 0.047676 O\n0.298771 0.852890 0.050096 O\n0.852890 0.298771 0.050096 O\n0.149916 0.149916 0.952405 O\n0.701401 0.147954 0.950293 O\n0.147954 0.701401 0.950293 O\n0.508966 0.982334 0.749469 O\n0.509214 0.509214 0.751180 O\n0.982334 0.508966 0.749469 O\n0.482757 0.033741 0.250212 O\n0.486785 0.486785 0.246281 O\n0.033741 0.482757 0.250212 O\n",
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"formula_full": "Ba10 Co7 Ir3 O30",
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},
{
"id": "mp-1218929",
"created_at": "2022-09-04T14:47:39.014948Z",
"structure_string": "Sr10 Fe5 Mo4 W1 O30\n1.0\n5.664180 0.000000 0.000000\n-0.004549 8.052994 0.000000\n-2.509461 -4.025700 14.160397\nSr Fe Mo W O\n10 5 4 1 30\ndirect\n0.098134 0.346780 0.203044 Sr\n0.697659 0.950280 0.399519 Sr\n0.298186 0.550318 0.599345 Sr\n0.898552 0.144055 0.796096 Sr\n0.499115 0.757139 0.999649 Sr\n0.500885 0.242861 0.000351 Sr\n0.101448 0.855945 0.203904 Sr\n0.701814 0.449682 0.400655 Sr\n0.302341 0.049720 0.600481 Sr\n0.901866 0.653220 0.796956 Sr\n0.000000 0.000000 0.000000 Fe\n0.603695 0.600458 0.200999 Fe\n0.199989 0.200176 0.400416 Fe\n0.800011 0.799824 0.599584 Fe\n0.396305 0.399542 0.799001 Fe\n0.598136 0.099484 0.200057 Mo\n0.201225 0.699847 0.399968 Mo\n0.798775 0.300153 0.600032 Mo\n0.401864 0.900516 0.799943 Mo\n0.000000 0.500000 0.000000 W\n0.301653 0.050919 0.101632 O\n0.897971 0.649562 0.299890 O\n0.498172 0.250477 0.500986 O\n0.097978 0.849037 0.697903 O\n0.710220 0.451190 0.902551 O\n0.289780 0.548810 0.097449 O\n0.902022 0.150963 0.302097 O\n0.501828 0.749523 0.499014 O\n0.102029 0.350438 0.700110 O\n0.698347 0.949081 0.898368 O\n0.570736 0.853134 0.211701 O\n0.178623 0.454863 0.410889 O\n0.777365 0.055023 0.610465 O\n0.383545 0.653546 0.811281 O\n0.976669 0.268598 0.012004 O\n0.616455 0.346454 0.188719 O\n0.222635 0.944977 0.389535 O\n0.821377 0.545137 0.589111 O\n0.429264 0.146866 0.788299 O\n0.023331 0.731402 0.987996 O\n0.199574 0.421426 0.902709 O\n0.791796 0.026267 0.106509 O\n0.391960 0.622990 0.301875 O\n0.996301 0.225174 0.503998 O\n0.593894 0.824621 0.700297 O\n0.406106 0.175379 0.299703 O\n0.003699 0.774826 0.496002 O\n0.608040 0.377010 0.698125 O\n0.208204 0.973733 0.893491 O\n0.800426 0.578574 0.097291 O\n",
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{
"id": "mp-1195556",
"created_at": "2022-09-04T14:47:39.868713Z",
"structure_string": "K10 Y4 Si8 O26 F2\n1.0\n5.837727 0.000000 0.000000\n0.000000 7.253171 0.000000\n0.000000 0.684051 18.306666\nK Y Si O F\n10 4 8 26 2\ndirect\n0.250000 0.524065 0.249536 K\n0.750000 0.475935 0.750464 K\n0.250000 0.131944 0.694084 K\n0.750000 0.868056 0.305916 K\n0.250000 0.795050 0.814496 K\n0.750000 0.204950 0.185504 K\n0.250000 0.803323 0.003633 K\n0.750000 0.196677 0.996367 K\n0.250000 0.259442 0.490226 K\n0.750000 0.740558 0.509774 K\n0.250000 0.333553 0.890258 Y\n0.750000 0.666447 0.109742 Y\n0.250000 0.597151 0.628881 Y\n0.750000 0.402849 0.371119 Y\n0.250000 0.336059 0.083307 Si\n0.750000 0.663941 0.916693 Si\n0.250000 0.958618 0.172976 Si\n0.750000 0.041382 0.827024 Si\n0.250000 0.082979 0.331739 Si\n0.750000 0.917021 0.668261 Si\n0.250000 0.710598 0.423356 Si\n0.750000 0.289402 0.576644 Si\n0.015670 0.453385 0.094490 O\n0.515670 0.546615 0.905510 O\n0.984330 0.546615 0.905510 O\n0.484330 0.453385 0.094490 O\n0.250000 0.226528 0.006433 O\n0.750000 0.773472 0.993567 O\n0.250000 0.183854 0.155513 O\n0.750000 0.816146 0.844487 O\n0.014629 0.868729 0.144610 O\n0.514629 0.131271 0.855390 O\n0.985371 0.131271 0.855390 O\n0.485371 0.868729 0.144610 O\n0.250000 0.936112 0.264203 O\n0.750000 0.063888 0.735797 O\n0.016863 0.205635 0.329830 O\n0.516863 0.794365 0.670170 O\n0.983137 0.794365 0.670170 O\n0.483137 0.205635 0.329830 O\n0.250000 0.941670 0.405906 O\n0.750000 0.058330 0.594094 O\n0.017113 0.623574 0.388584 O\n0.517113 0.376426 0.611416 O\n0.982887 0.376426 0.611416 O\n0.482887 0.623574 0.388584 O\n0.250000 0.685666 0.512973 O\n0.750000 0.314334 0.487027 O\n0.250000 0.461808 0.756756 F\n0.750000 0.538192 0.243244 F\n",
"nsites": 50,
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"elements": [
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"formula_full": "K10 Y4 Si8 O26 F2",
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},
{
"id": "mp-1203115",
"created_at": "2022-09-04T14:47:57.835005Z",
"structure_string": "U2 H28 Cl6 O14\n1.0\n7.637938 -0.017899 2.313728\n0.402704 7.791030 2.822053\n-0.026100 0.028935 9.370479\nU H Cl O\n2 28 6 14\ndirect\n0.784472 0.820809 0.171871 U\n0.215528 0.179191 0.828129 U\n0.998352 0.850995 0.410477 H\n0.001648 0.149005 0.589523 H\n0.869725 0.017676 0.377782 H\n0.130275 0.982324 0.622218 H\n0.085661 0.540828 0.267293 H\n0.914339 0.459172 0.732707 H\n0.910866 0.473445 0.391144 H\n0.089134 0.526555 0.608856 H\n0.733081 0.825186 0.845519 H\n0.266919 0.174814 0.154481 H\n0.874436 0.960774 0.808464 H\n0.125564 0.039226 0.191536 H\n0.390109 0.869975 0.154178 H\n0.609891 0.130025 0.845822 H\n0.433721 0.675407 0.157470 H\n0.566279 0.324593 0.842530 H\n0.520440 0.132353 0.254175 H\n0.479560 0.867647 0.745825 H\n0.445701 0.956504 0.376584 H\n0.554299 0.043496 0.623416 H\n0.646919 0.644766 0.543887 H\n0.353081 0.355234 0.456113 H\n0.487554 0.667030 0.470597 H\n0.512446 0.332970 0.529403 H\n0.809032 0.433606 0.175692 H\n0.190968 0.566394 0.824308 H\n0.734100 0.534542 0.028918 H\n0.265900 0.465458 0.971082 H\n0.855758 0.179139 0.013572 Cl\n0.144242 0.820861 0.986428 Cl\n0.213100 0.780857 0.531931 Cl\n0.786900 0.219143 0.468069 Cl\n0.662701 0.617218 0.784547 Cl\n0.337299 0.382782 0.215453 Cl\n0.931633 0.924037 0.334937 O\n0.068367 0.075963 0.665063 O\n0.969370 0.579861 0.320988 O\n0.030630 0.420139 0.679012 O\n0.761353 0.915564 0.880989 O\n0.238647 0.084436 0.119011 O\n0.481684 0.775994 0.160584 O\n0.518316 0.224006 0.839416 O\n0.551091 0.009273 0.297568 O\n0.448909 0.990727 0.702432 O\n0.616762 0.653653 0.446004 O\n0.383238 0.346347 0.553996 O\n0.781417 0.548887 0.109703 O\n0.218583 0.451113 0.890297 O\n",
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{
"id": "mp-1222178",
"created_at": "2022-09-04T14:47:39.718935Z",
"structure_string": "Mn2 Fe8 Bi10 O30\n1.0\n5.745434 0.000000 0.000000\n-2.708087 9.406151 0.000000\n-2.567802 -2.514122 11.992822\nMn Fe Bi O\n2 8 10 30\ndirect\n0.612815 0.943296 0.167162 Mn\n0.112032 0.444286 0.667763 Mn\n0.205478 0.343695 0.964049 Fe\n0.808842 0.744568 0.765570 Fe\n0.403517 0.144345 0.565197 Fe\n0.005736 0.543879 0.365384 Fe\n0.502527 0.042858 0.865300 Fe\n0.705224 0.843637 0.465089 Fe\n0.311203 0.246390 0.266419 Fe\n0.902191 0.643974 0.065025 Fe\n0.293495 0.699933 0.901059 Bi\n0.887345 0.099805 0.697995 Bi\n0.496847 0.501588 0.498509 Bi\n0.098034 0.904330 0.300224 Bi\n0.691556 0.299067 0.098010 Bi\n0.993742 0.000819 0.998300 Bi\n0.599378 0.401017 0.796281 Bi\n0.193118 0.799930 0.598348 Bi\n0.796484 0.201094 0.399477 Bi\n0.385007 0.598930 0.195163 Bi\n0.100512 0.968233 0.493220 O\n0.705516 0.368193 0.296671 O\n0.280598 0.758112 0.091420 O\n0.902721 0.167299 0.896952 O\n0.520150 0.569659 0.694994 O\n0.026971 0.638887 0.235901 O\n0.631259 0.040027 0.037837 O\n0.218409 0.438801 0.831774 O\n0.835495 0.840442 0.636120 O\n0.437962 0.239604 0.436515 O\n0.460419 0.068886 0.245513 O\n0.047805 0.464659 0.046698 O\n0.658227 0.870900 0.849141 O\n0.244305 0.271267 0.646021 O\n0.852572 0.669648 0.447339 O\n0.673056 0.850467 0.303513 O\n0.275968 0.247950 0.105347 O\n0.875898 0.647222 0.904258 O\n0.466688 0.043388 0.704166 O\n0.074486 0.450216 0.508340 O\n0.830149 0.829345 0.113896 O\n0.440328 0.228966 0.914536 O\n0.048213 0.629727 0.714081 O\n0.640860 0.027438 0.514711 O\n0.241793 0.430047 0.316295 O\n0.990792 0.103572 0.261581 O\n0.567051 0.498772 0.053116 O\n0.173197 0.897599 0.857596 O\n0.749199 0.290256 0.658737 O\n0.373230 0.698578 0.456584 O\n",
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"formula_full": "Mn2 Fe8 Bi10 O30",
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{
"id": "mp-1196963",
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"structure_string": "Er30 Si18 C2\n1.0\n7.260907 -12.576260 0.000000\n7.260907 12.576260 0.000000\n0.000000 0.000000 6.282776\nEr Si C\n30 18 2\ndirect\n0.990203 0.328967 0.499591 Er\n0.671033 0.661236 0.499591 Er\n0.338764 0.009797 0.499591 Er\n0.671033 0.009797 0.499591 Er\n0.338764 0.328967 0.499591 Er\n0.990203 0.661236 0.499591 Er\n0.009797 0.671033 0.999591 Er\n0.328967 0.338764 0.999591 Er\n0.661236 0.990203 0.999591 Er\n0.328967 0.990203 0.999591 Er\n0.661236 0.671033 0.999591 Er\n0.009797 0.338764 0.999591 Er\n0.587608 0.412392 0.211693 Er\n0.587608 0.175216 0.211693 Er\n0.824784 0.412392 0.211693 Er\n0.412392 0.587608 0.711693 Er\n0.412392 0.824784 0.711693 Er\n0.175216 0.587608 0.711693 Er\n0.746146 0.253854 0.765003 Er\n0.746146 0.492293 0.765003 Er\n0.507707 0.253854 0.765003 Er\n0.253854 0.746146 0.265003 Er\n0.253854 0.507707 0.265003 Er\n0.492293 0.746146 0.265003 Er\n0.918995 0.081005 0.242737 Er\n0.918995 0.837990 0.242737 Er\n0.162010 0.081005 0.242737 Er\n0.081005 0.918995 0.742737 Er\n0.081005 0.162010 0.742737 Er\n0.837990 0.918995 0.742737 Er\n0.867870 0.132130 0.765683 Si\n0.867870 0.735739 0.765683 Si\n0.264261 0.132130 0.765683 Si\n0.132130 0.867870 0.265683 Si\n0.132130 0.264261 0.265683 Si\n0.735739 0.867870 0.265683 Si\n0.533122 0.466878 0.760148 Si\n0.533122 0.066243 0.760148 Si\n0.933757 0.466878 0.760148 Si\n0.466878 0.533122 0.260148 Si\n0.466878 0.933757 0.260148 Si\n0.066243 0.533122 0.260148 Si\n0.800325 0.199675 0.227117 Si\n0.800325 0.600649 0.227117 Si\n0.399351 0.199675 0.227117 Si\n0.199675 0.800325 0.727117 Si\n0.199675 0.399351 0.727117 Si\n0.600649 0.800325 0.727117 Si\n0.666667 0.333333 0.986312 C\n0.333333 0.666667 0.486312 C\n",
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{
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