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{
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{
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{
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"structure_string": "Ca2 Mn24 O48\n1.0\n5.891701 0.000000 0.000000\n0.000000 9.749825 0.000000\n0.000000 9.574530 13.919649\nCa Mn O\n2 24 48\ndirect\n0.622361 0.272950 0.738622 Ca\n0.377639 0.272950 0.238622 Ca\n0.372582 0.013226 0.491454 Mn\n0.374474 0.486531 0.511028 Mn\n0.876388 0.019132 0.487619 Mn\n0.874884 0.484105 0.512085 Mn\n0.371442 0.882237 0.850147 Mn\n0.371700 0.435530 0.843348 Mn\n0.878961 0.881644 0.849850 Mn\n0.877001 0.435298 0.843630 Mn\n0.374191 0.626157 0.153866 Mn\n0.374603 0.058805 0.158103 Mn\n0.875817 0.611678 0.152614 Mn\n0.874156 0.069925 0.160002 Mn\n0.627418 0.013226 0.991454 Mn\n0.625526 0.486531 0.011028 Mn\n0.123612 0.019132 0.987619 Mn\n0.125116 0.484105 0.012085 Mn\n0.628300 0.435530 0.343348 Mn\n0.628558 0.882237 0.350147 Mn\n0.122999 0.435298 0.343630 Mn\n0.121039 0.881644 0.349850 Mn\n0.625397 0.058805 0.658103 Mn\n0.625809 0.626157 0.653866 Mn\n0.125844 0.069925 0.660002 Mn\n0.124183 0.611678 0.652614 Mn\n0.375482 0.514153 0.077575 O\n0.375371 0.046139 0.051591 O\n0.874404 0.517166 0.074904 O\n0.874050 0.050697 0.051796 O\n0.378767 0.986755 0.924327 O\n0.375416 0.453531 0.949893 O\n0.871261 0.987589 0.924080 O\n0.873996 0.449200 0.951681 O\n0.125950 0.050697 0.551796 O\n0.125596 0.517166 0.574904 O\n0.624629 0.046139 0.551591 O\n0.624518 0.514153 0.577575 O\n0.624584 0.453531 0.449893 O\n0.621233 0.986755 0.424327 O\n0.126004 0.449200 0.451681 O\n0.128739 0.987589 0.424080 O\n0.121308 0.766332 0.092676 O\n0.132642 0.224203 0.117918 O\n0.628367 0.768227 0.092581 O\n0.616207 0.225565 0.117704 O\n0.125333 0.732561 0.910350 O\n0.124713 0.280471 0.889883 O\n0.625200 0.729789 0.910735 O\n0.624479 0.275082 0.884811 O\n0.383793 0.225565 0.617704 O\n0.371633 0.768227 0.592581 O\n0.867358 0.224203 0.617918 O\n0.878692 0.766332 0.592676 O\n0.375521 0.275082 0.384811 O\n0.374800 0.729789 0.410735 O\n0.875287 0.280471 0.389883 O\n0.874667 0.732561 0.410350 O\n0.127026 0.459763 0.221616 O\n0.117244 0.904589 0.223247 O\n0.623861 0.460078 0.221775 O\n0.631790 0.904777 0.223389 O\n0.124769 0.043006 0.781846 O\n0.123584 0.594890 0.778115 O\n0.625453 0.023924 0.782364 O\n0.624842 0.597692 0.778412 O\n0.368210 0.904777 0.723389 O\n0.376139 0.460078 0.721775 O\n0.882756 0.904589 0.723247 O\n0.872974 0.459763 0.721616 O\n0.375158 0.597692 0.278412 O\n0.374547 0.023924 0.282364 O\n0.876416 0.594890 0.278115 O\n0.875231 0.043006 0.281846 O\n",
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"formula_full": "Ca2 Mn24 O48",
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{
"id": "mp-1208061",
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"structure_string": "Tm4 W4 O20\n1.0\n4.744281 0.000000 -2.302753\n-4.622419 0.000000 -4.588842\n0.000000 12.547552 0.000000\nTm W O\n4 4 20\ndirect\n0.144982 0.785507 0.444962 Tm\n0.855018 0.214493 0.555038 Tm\n0.355018 0.714493 0.944962 Tm\n0.644982 0.285507 0.055038 Tm\n0.951935 0.847280 0.138521 W\n0.048065 0.152720 0.861479 W\n0.548065 0.652720 0.638521 W\n0.451935 0.347280 0.361479 W\n0.046813 0.557127 0.084878 O\n0.953187 0.442873 0.915122 O\n0.453187 0.942873 0.584878 O\n0.546813 0.057127 0.415122 O\n0.860725 0.845697 0.571933 O\n0.139275 0.154303 0.428067 O\n0.639275 0.654303 0.071933 O\n0.360725 0.345697 0.928067 O\n0.273016 0.971927 0.063552 O\n0.726984 0.028073 0.936448 O\n0.226984 0.528073 0.563552 O\n0.773016 0.471927 0.436448 O\n0.997859 0.790896 0.275903 O\n0.002141 0.209104 0.724097 O\n0.502141 0.709104 0.775903 O\n0.497859 0.290896 0.224097 O\n0.154803 0.916984 0.851064 O\n0.845197 0.083016 0.148936 O\n0.345197 0.583016 0.351064 O\n0.654803 0.416984 0.648936 O\n",
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"formula_full": "Tm4 W4 O20",
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"updated_at": "2021-11-28T01:37:29.189000Z",
"spacegroup": 14
},
{
"id": "mp-1008487",
"created_at": "2022-09-04T14:46:19.179657Z",
"structure_string": "B2 W2\n1.0\n1.591431 -4.263524 0.000000\n1.591431 4.263524 0.000000\n0.000000 0.000000 3.109849\nB W\n2 2\ndirect\n0.560600 0.439400 0.750000 B\n0.439400 0.560600 0.250000 B\n0.855289 0.144711 0.750000 W\n0.144711 0.855289 0.250000 W\n",
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"updated_at": "2021-11-28T01:37:24.705000Z",
"spacegroup": 63
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{
"id": "mp-530751",
"created_at": "2022-09-04T14:46:19.132816Z",
"structure_string": "Co25 Ru5 O40\n1.0\n5.267389 -0.022950 2.989419\n1.735653 4.872889 2.986730\n0.010298 -0.009392 29.876940\nCo O Ru\n25 40 5\ndirect\n0.126360 0.107290 0.026330 Co\n0.000000 0.500000 0.100000 Co\n0.499803 0.494925 0.001062 Co\n0.103844 0.128013 0.227041 Co\n0.500000 0.500000 0.100000 Co\n0.500197 0.505075 0.198938 Co\n0.101616 0.133669 0.426417 Co\n0.505355 0.496095 0.299705 Co\n0.873640 0.892710 0.173670 Co\n0.504149 0.498762 0.399711 Co\n0.096889 0.134606 0.626877 Co\n0.504803 -0.000687 0.299396 Co\n0.502530 0.500001 0.499560 Co\n0.907351 0.863031 0.372777 Co\n0.502732 -0.001120 0.499745 Co\n0.092649 0.136969 0.827223 Co\n0.500000 0.500000 0.600000 Co\n0.497470 0.499999 0.700440 Co\n0.495198 1.000687 0.900604 Co\n0.497268 1.001120 0.700255 Co\n0.903111 0.865394 0.573123 Co\n0.495851 0.501238 0.800289 Co\n0.494644 0.503905 0.900295 Co\n0.898384 0.866331 0.773583 Co\n0.896156 0.871987 0.972959 Co\n0.264582 0.237433 0.053054 O\n0.265009 0.237731 0.146398 O\n0.263211 0.709542 0.053677 O\n0.727553 0.240431 0.053025 O\n0.272447 0.759569 0.146975 O\n0.239344 0.267093 0.252597 O\n0.736789 0.290458 0.146323 O\n0.734991 0.762269 0.053602 O\n0.241511 0.262952 0.345651 O\n0.243431 0.723786 0.253489 O\n0.709767 0.259994 0.253756 O\n0.735418 0.762567 0.146946 O\n0.301756 0.731798 0.346298 O\n0.241051 0.268687 0.452213 O\n0.762700 0.732743 0.254447 O\n0.766599 0.267321 0.345729 O\n0.239263 0.264858 0.546001 O\n0.239090 0.729767 0.453202 O\n0.768067 0.726629 0.347149 O\n0.708442 0.264339 0.452568 O\n0.296698 0.733450 0.547026 O\n0.235031 0.269385 0.653012 O\n0.766381 0.269812 0.546226 O\n0.766781 0.733153 0.453551 O\n0.233219 0.266847 0.746449 O\n0.233619 0.730188 0.653774 O\n0.764969 0.730615 0.546988 O\n0.703302 0.266550 0.652974 O\n0.231933 0.273371 0.852851 O\n0.291558 0.735661 0.747432 O\n0.760737 0.735142 0.653999 O\n0.760910 0.270233 0.746798 O\n0.237300 0.267257 0.945553 O\n0.233401 0.732679 0.854271 O\n0.698244 0.268202 0.853702 O\n0.758949 0.731313 0.747787 O\n0.290233 0.740006 0.946244 O\n0.756569 0.276214 0.946511 O\n0.758489 0.737048 0.854349 O\n0.760656 0.732907 0.947403 O\n0.500000 0.000000 0.100000 Ru\n0.002979 0.499040 0.499851 Ru\n1.003224 0.495901 0.299996 Ru\n-0.003224 0.504099 0.900004 Ru\n0.997021 0.500960 0.700149 Ru\n",
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{
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"created_at": "2022-09-04T14:46:18.530238Z",
"structure_string": "Ba4 V8 Zn4 O28\n1.0\n5.563893 0.000000 0.000000\n0.000000 7.555653 0.000000\n0.000000 0.000000 15.428615\nBa V Zn O\n4 8 4 28\ndirect\n0.250000 0.647276 0.289756 Ba\n0.750000 0.352724 0.710244 Ba\n0.750000 0.147276 0.210244 Ba\n0.250000 0.852724 0.789756 Ba\n0.250000 0.305564 0.056516 V\n0.750000 0.694436 0.943484 V\n0.750000 0.805564 0.443484 V\n0.250000 0.194436 0.556516 V\n0.250000 0.172486 0.359381 V\n0.750000 0.827514 0.640619 V\n0.750000 0.672486 0.140619 V\n0.250000 0.327514 0.859381 V\n0.250000 0.850890 0.047673 Zn\n0.750000 0.149110 0.952327 Zn\n0.750000 0.350890 0.452327 Zn\n0.250000 0.649110 0.547673 Zn\n0.997641 0.308048 0.356428 O\n0.002359 0.691952 0.643572 O\n0.002359 0.808048 0.143572 O\n0.497641 0.691952 0.643572 O\n0.997641 0.191952 0.856428 O\n0.502359 0.308048 0.356428 O\n0.502359 0.191952 0.856428 O\n0.497641 0.808048 0.143572 O\n0.998023 0.168768 0.049962 O\n0.001977 0.831232 0.950038 O\n0.001977 0.668768 0.450038 O\n0.498023 0.831232 0.950038 O\n0.998023 0.331232 0.549962 O\n0.501977 0.168768 0.049962 O\n0.501977 0.331232 0.549962 O\n0.498023 0.668768 0.450038 O\n0.250000 0.051391 0.461251 O\n0.750000 0.948609 0.538749 O\n0.750000 0.551391 0.038749 O\n0.250000 0.448609 0.961251 O\n0.250000 0.041077 0.270498 O\n0.750000 0.958923 0.729502 O\n0.750000 0.541077 0.229502 O\n0.250000 0.458923 0.770498 O\n0.250000 0.418495 0.150934 O\n0.750000 0.581505 0.849066 O\n0.750000 0.918495 0.349066 O\n0.250000 0.081505 0.650934 O\n",
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"formula_full": "Ba4 V8 Zn4 O28",
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{
"id": "mp-1006574",
"created_at": "2022-09-04T14:46:19.147628Z",
"structure_string": "Rb2 Zr24 Te32\n1.0\n5.594261 -9.689545 0.000000\n5.594261 9.689545 0.000000\n0.000000 0.000000 15.864401\nRb Zr Te\n2 24 32\ndirect\n0.333333 0.666667 0.361293 Rb\n0.333333 0.666667 0.638707 Rb\n0.456862 0.295684 0.752000 Zr\n0.456659 0.298778 0.000000 Zr\n0.456862 0.295684 0.248000 Zr\n0.456541 0.290502 0.500000 Zr\n0.838822 0.543138 0.752000 Zr\n0.833961 0.543459 0.500000 Zr\n0.842119 0.543341 0.000000 Zr\n0.838822 0.543138 0.248000 Zr\n0.704316 0.161178 0.752000 Zr\n0.709498 0.166039 0.500000 Zr\n0.701222 0.157881 0.000000 Zr\n0.704316 0.161178 0.248000 Zr\n0.968949 0.177806 0.875648 Zr\n0.968949 0.177806 0.124352 Zr\n0.971594 0.181492 0.375766 Zr\n0.971594 0.181492 0.624234 Zr\n0.822194 0.791143 0.875648 Zr\n0.822194 0.791143 0.124352 Zr\n0.818508 0.790102 0.375766 Zr\n0.818508 0.790102 0.624234 Zr\n0.208857 0.031051 0.875648 Zr\n0.208857 0.031051 0.124352 Zr\n0.209898 0.028406 0.375766 Zr\n0.209898 0.028406 0.624234 Zr\n0.618393 0.611166 0.751933 Te\n0.621479 0.611939 0.000000 Te\n0.618393 0.611166 0.248067 Te\n0.612434 0.610534 0.500000 Te\n0.388834 0.007227 0.751933 Te\n0.388061 0.009540 0.000000 Te\n0.388834 0.007227 0.248067 Te\n0.389466 0.001900 0.500000 Te\n0.666667 0.333333 0.876415 Te\n0.666667 0.333333 0.374783 Te\n0.666667 0.333333 0.123585 Te\n0.666667 0.333333 0.625217 Te\n0.679303 0.958188 0.875534 Te\n0.679303 0.958188 0.124466 Te\n0.683730 0.964503 0.375822 Te\n0.683730 0.964503 0.624178 Te\n0.992773 0.381607 0.751933 Te\n0.992773 0.381607 0.248067 Te\n0.990460 0.378521 0.000000 Te\n0.998100 0.387566 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.749817 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.250183 Te\n0.278884 0.320697 0.875534 Te\n0.278884 0.320697 0.124466 Te\n0.280772 0.316270 0.375822 Te\n0.280772 0.316270 0.624178 Te\n0.041812 0.721116 0.875534 Te\n0.041812 0.721116 0.124466 Te\n0.035497 0.719228 0.375822 Te\n0.035497 0.719228 0.624178 Te\n",
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