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{
"id": "mp-1195264",
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"structure_string": "Cs4 H24 Rh4 N24 O32\n1.0\n7.325891 0.000000 0.000000\n0.000000 12.240795 0.000000\n0.000000 0.000000 14.067322\nCs H Rh N O\n4 24 4 24 32\ndirect\n0.294868 0.380304 0.973959 Cs\n0.205132 0.619696 0.473959 Cs\n0.794868 0.119696 0.026041 Cs\n0.705132 0.880304 0.526041 Cs\n0.904420 0.596525 0.713847 H\n0.595580 0.403475 0.213847 H\n0.404420 0.903475 0.286153 H\n0.095580 0.096525 0.786153 H\n0.050937 0.498456 0.742676 H\n0.449063 0.501544 0.242676 H\n0.550937 0.001544 0.257324 H\n0.949063 0.998456 0.757324 H\n0.884499 0.533669 0.818357 H\n0.615501 0.466331 0.318357 H\n0.384499 0.966331 0.181643 H\n0.115501 0.033669 0.681643 H\n0.577020 0.224116 0.642891 H\n0.922980 0.775884 0.142891 H\n0.077020 0.275884 0.357109 H\n0.422980 0.724116 0.857109 H\n0.567197 0.305187 0.547523 H\n0.932803 0.694813 0.047523 H\n0.067197 0.194813 0.452477 H\n0.432803 0.805187 0.952477 H\n0.427766 0.327599 0.638496 H\n0.072234 0.672401 0.138496 H\n0.927766 0.172401 0.361504 H\n0.572234 0.827599 0.861504 H\n0.737805 0.412498 0.684139 Rh\n0.762195 0.587502 0.184139 Rh\n0.237805 0.087502 0.315861 Rh\n0.262195 0.912498 0.815861 Rh\n0.769331 0.308916 0.798534 N\n0.730669 0.691084 0.298534 N\n0.269331 0.191084 0.201466 N\n0.230669 0.808916 0.701466 N\n0.700401 0.520263 0.571371 N\n0.799599 0.479737 0.071371 N\n0.200401 0.979737 0.428629 N\n0.299599 0.020263 0.928629 N\n0.950215 0.338885 0.613257 N\n0.549785 0.661115 0.113257 N\n0.450215 0.161115 0.386743 N\n0.049785 0.838885 0.886743 N\n0.519215 0.485458 0.755023 N\n0.980785 0.514542 0.255023 N\n0.019215 0.014542 0.244977 N\n0.480785 0.985458 0.744977 N\n0.917751 0.523215 0.748343 N\n0.582249 0.476785 0.248343 N\n0.417751 0.976785 0.251657 N\n0.082249 0.023215 0.751657 N\n0.556795 0.302667 0.620208 N\n0.943205 0.697333 0.120208 N\n0.056795 0.197333 0.379792 N\n0.443205 0.802667 0.879792 N\n0.071578 0.396814 0.576113 O\n0.428422 0.603186 0.076113 O\n0.571578 0.103186 0.423887 O\n0.928422 0.896814 0.923887 O\n0.953832 0.237450 0.606442 O\n0.546168 0.762550 0.106442 O\n0.453832 0.262550 0.393558 O\n0.046168 0.737450 0.893558 O\n0.782390 0.610302 0.571228 O\n0.717610 0.389698 0.071228 O\n0.282390 0.889698 0.428772 O\n0.217610 0.110302 0.928772 O\n0.924716 0.291315 0.832020 O\n0.575284 0.708685 0.332020 O\n0.424716 0.208685 0.167980 O\n0.075284 0.791315 0.667980 O\n0.548420 0.546049 0.824849 O\n0.951580 0.453951 0.324849 O\n0.048420 0.953951 0.175151 O\n0.451580 0.046049 0.675151 O\n0.593449 0.496122 0.505693 O\n0.906551 0.503878 0.005693 O\n0.093449 0.003878 0.494307 O\n0.406551 0.996122 0.994307 O\n0.631097 0.265182 0.834679 O\n0.868903 0.734818 0.334679 O\n0.131097 0.234818 0.165321 O\n0.368903 0.765182 0.665321 O\n0.358973 0.464480 0.729510 O\n0.141027 0.535520 0.229510 O\n0.858973 0.035520 0.270490 O\n0.641027 0.964480 0.770490 O\n",
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"formula_full": "Cs4 H24 Rh4 N24 O32",
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"spacegroup": 19
},
{
"id": "mp-1210368",
"created_at": "2022-09-04T14:42:55.627669Z",
"structure_string": "Na8 Pb4 O12\n1.0\n5.040866 2.906592 0.000000\n-5.040866 2.906592 0.000000\n0.000000 1.967440 11.186597\nNa Pb O\n8 4 12\ndirect\n0.660490 0.818693 0.500488 Na\n0.339510 0.181307 0.499512 Na\n0.181307 0.339510 0.999512 Na\n0.818693 0.660490 0.000488 Na\n0.584242 0.415758 0.750000 Na\n0.415758 0.584242 0.250000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.250172 0.749828 0.750000 Pb\n0.749828 0.250172 0.250000 Pb\n0.917460 0.082540 0.750000 Pb\n0.082540 0.917460 0.250000 Pb\n0.814746 0.982069 0.138811 O\n0.185254 0.017931 0.861189 O\n0.017931 0.185254 0.361189 O\n0.982069 0.814746 0.638811 O\n0.545383 0.737598 0.862224 O\n0.454617 0.262402 0.137776 O\n0.262402 0.454617 0.637776 O\n0.737598 0.545383 0.362224 O\n0.621510 0.091803 0.639252 O\n0.378490 0.908197 0.360748 O\n0.908197 0.378490 0.860748 O\n0.091803 0.621510 0.139252 O\n",
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"elements": [
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{
"id": "mp-557747",
"created_at": "2022-09-04T14:43:07.750350Z",
"structure_string": "K8 Sr4 P8 O28\n1.0\n5.796515 0.000000 0.000000\n0.000000 9.287722 0.000000\n0.000000 4.080019 14.378398\nK Sr P O\n8 4 8 28\ndirect\n0.738209 0.534298 0.163681 K\n0.266387 0.031817 0.386505 K\n0.733613 0.968183 0.613495 K\n0.238209 0.465702 0.336319 K\n0.261791 0.465702 0.836319 K\n0.766387 0.968183 0.113495 K\n0.233613 0.031817 0.886505 K\n0.761791 0.534298 0.663681 K\n0.273689 0.263217 0.132490 Sr\n0.226311 0.263217 0.632490 Sr\n0.773689 0.736783 0.367510 Sr\n0.726311 0.736783 0.867510 Sr\n0.800061 0.308786 0.965645 P\n0.731164 0.181075 0.806183 P\n0.699939 0.308786 0.465645 P\n0.231164 0.818925 0.693817 P\n0.768836 0.181075 0.306183 P\n0.300061 0.691214 0.534355 P\n0.268836 0.818925 0.193817 P\n0.199939 0.691214 0.034355 P\n0.519463 0.265649 0.756941 O\n0.019463 0.734351 0.743059 O\n0.554805 0.734237 0.513038 O\n0.728257 0.013908 0.812810 O\n0.271743 0.986092 0.187190 O\n0.445195 0.265763 0.486962 O\n0.961028 0.258033 0.771755 O\n0.155411 0.717134 0.445825 O\n0.228257 0.986092 0.687190 O\n0.480537 0.734351 0.243059 O\n0.038972 0.741967 0.228245 O\n0.844589 0.282866 0.554175 O\n0.234544 0.538712 0.104688 O\n0.461028 0.741967 0.728245 O\n0.945195 0.734237 0.013038 O\n0.655411 0.282866 0.054175 O\n0.344589 0.717134 0.945825 O\n0.734544 0.461288 0.395312 O\n0.538972 0.258033 0.271755 O\n0.054805 0.265763 0.986962 O\n0.771743 0.013908 0.312810 O\n0.765456 0.461288 0.895312 O\n0.980537 0.265649 0.256941 O\n0.699550 0.180535 0.917023 O\n0.265456 0.538712 0.604688 O\n0.300450 0.819465 0.082977 O\n0.199550 0.819465 0.582977 O\n0.800450 0.180535 0.417023 O\n",
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{
"id": "mp-505633",
"created_at": "2022-09-04T14:43:04.931273Z",
"structure_string": "Cs4 Zn6 S8\n1.0\n-2.960603 5.757441 7.062520\n2.960603 -5.757441 7.062520\n2.960603 5.757441 -7.062520\nCs Zn S\n4 6 8\ndirect\n0.879094 0.765718 0.644812 Cs\n0.620906 0.265718 0.886624 Cs\n0.379094 0.734282 0.113376 Cs\n0.120906 0.234282 0.355188 Cs\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.024499 0.250000 0.774499 Zn\n0.475501 0.250000 0.225501 Zn\n0.975501 0.750000 0.225501 Zn\n0.524499 0.750000 0.774499 Zn\n0.792334 0.939478 0.415808 S\n0.707666 0.123474 0.147144 S\n0.976330 0.560522 0.852856 S\n0.523670 0.376526 0.584192 S\n0.207666 0.060522 0.584192 S\n0.292334 0.876526 0.852856 S\n0.023670 0.439478 0.147144 S\n0.476330 0.623474 0.415808 S\n",
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"formula_full": "Cs4 Zn6 S8",
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{
"id": "mp-1208322",
"created_at": "2022-09-04T14:43:08.120963Z",
"structure_string": "Te4 Xe1 O4 F20\n1.0\n5.710998 0.000000 0.000000\n-0.191448 8.845129 0.000000\n-1.455020 -3.603511 9.814529\nTe Xe O F\n4 1 4 20\ndirect\n0.262566 0.099574 0.741097 Te\n0.737434 0.900426 0.258903 Te\n0.227027 0.392621 0.251827 Te\n0.772973 0.607379 0.748173 Te\n0.000000 0.000000 0.000000 Xe\n0.764417 0.033342 0.148976 O\n0.235583 0.966658 0.851024 O\n0.262853 0.169818 0.149901 O\n0.737147 0.830182 0.850099 O\n0.131646 0.270812 0.864315 F\n0.868354 0.729188 0.135685 F\n0.084310 0.335433 0.379968 F\n0.915690 0.664567 0.620032 F\n0.301302 0.228902 0.637157 F\n0.698698 0.771098 0.362843 F\n0.927951 0.385615 0.148820 F\n0.072049 0.614385 0.851180 F\n0.609211 0.068930 0.384252 F\n0.390789 0.931070 0.615748 F\n0.371440 0.464514 0.131874 F\n0.628560 0.535486 0.868126 F\n0.526688 0.401472 0.352777 F\n0.473312 0.598528 0.647223 F\n0.042354 0.969339 0.357125 F\n0.957646 0.030661 0.642875 F\n0.431508 0.823712 0.162926 F\n0.568492 0.176288 0.837074 F\n0.194377 0.607222 0.352921 F\n0.805623 0.392778 0.647079 F\n",
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{
"id": "mp-1209416",
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"structure_string": "Rb12 Er4 Cl24\n1.0\n4.009674 13.097629 0.000000\n-4.009674 13.097629 0.000000\n0.000000 2.139513 12.760498\nRb Er Cl\n12 4 24\ndirect\n0.303475 0.795755 0.067091 Rb\n0.696525 0.204245 0.932909 Rb\n0.204245 0.696525 0.432909 Rb\n0.795755 0.303475 0.567091 Rb\n0.466377 0.841108 0.355621 Rb\n0.533623 0.158892 0.644379 Rb\n0.158892 0.533623 0.144379 Rb\n0.841108 0.466377 0.855621 Rb\n0.651136 0.025437 0.299510 Rb\n0.348864 0.974563 0.700490 Rb\n0.974563 0.348864 0.200490 Rb\n0.025437 0.651136 0.799510 Rb\n0.783632 0.216368 0.250000 Er\n0.216368 0.783632 0.750000 Er\n0.500000 0.000000 0.000000 Er\n0.000000 0.500000 0.500000 Er\n0.621410 0.724570 0.081450 Cl\n0.378590 0.275430 0.918550 Cl\n0.275430 0.378590 0.418550 Cl\n0.724570 0.621410 0.581450 Cl\n0.496456 0.387321 0.180358 Cl\n0.503544 0.612679 0.819642 Cl\n0.612679 0.503544 0.319642 Cl\n0.387321 0.496456 0.680358 Cl\n0.780577 0.865097 0.035097 Cl\n0.219423 0.134903 0.964903 Cl\n0.134903 0.219423 0.464903 Cl\n0.865097 0.780577 0.535097 Cl\n0.915586 0.967911 0.694670 Cl\n0.084414 0.032089 0.305330 Cl\n0.032089 0.084414 0.805330 Cl\n0.967911 0.915586 0.194670 Cl\n0.716911 0.167211 0.434225 Cl\n0.283089 0.832789 0.565775 Cl\n0.832789 0.283089 0.065775 Cl\n0.167211 0.716911 0.934225 Cl\n0.361398 0.139521 0.185134 Cl\n0.638602 0.860479 0.814866 Cl\n0.860479 0.638602 0.314866 Cl\n0.139521 0.361398 0.685134 Cl\n",
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{
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"structure_string": "Cu8 Sb8 O32\n1.0\n9.045387 0.000000 0.000000\n0.000000 6.856499 0.000000\n0.000000 0.258198 11.031186\nCu Sb O\n8 8 32\ndirect\n0.884816 0.161456 0.890995 Cu\n0.962052 0.618570 0.626621 Cu\n0.037948 0.381430 0.373379 Cu\n0.115184 0.838544 0.109005 Cu\n0.615184 0.161456 0.390995 Cu\n0.537948 0.618570 0.126621 Cu\n0.384816 0.838544 0.609005 Cu\n0.462052 0.381430 0.873379 Cu\n0.578644 0.890694 0.880259 Sb\n0.921356 0.890694 0.380259 Sb\n0.876455 0.421638 0.105278 Sb\n0.078644 0.109306 0.619741 Sb\n0.123545 0.578362 0.894722 Sb\n0.376455 0.578362 0.394722 Sb\n0.623545 0.421638 0.605278 Sb\n0.421356 0.109306 0.119741 Sb\n0.709264 0.923868 0.365069 O\n0.984794 0.360731 0.584550 O\n0.309517 0.828162 0.455070 O\n0.809517 0.171838 0.044930 O\n0.790736 0.923868 0.865069 O\n0.290736 0.076132 0.634931 O\n0.943974 0.888195 0.577480 O\n0.069498 0.570167 0.088592 O\n0.430502 0.570167 0.588592 O\n0.125368 0.660971 0.723836 O\n0.625368 0.339029 0.776164 O\n0.930502 0.429833 0.911408 O\n0.056026 0.111805 0.422520 O\n0.459776 0.110441 0.291420 O\n0.760324 0.630855 0.597136 O\n0.739676 0.630855 0.097136 O\n0.959776 0.889559 0.208580 O\n0.569498 0.429833 0.411408 O\n0.540224 0.889559 0.708580 O\n0.690483 0.171838 0.544930 O\n0.515206 0.360731 0.084550 O\n0.874632 0.339029 0.276164 O\n0.209264 0.076132 0.134931 O\n0.556026 0.888195 0.077480 O\n0.190483 0.828162 0.955070 O\n0.260324 0.369145 0.902864 O\n0.015206 0.639269 0.415450 O\n0.484794 0.639269 0.915450 O\n0.443974 0.111805 0.922520 O\n0.239676 0.369145 0.402864 O\n0.374632 0.660971 0.223836 O\n0.040224 0.110441 0.791420 O\n",
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