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{
"id": "mp-1196181",
"created_at": "2022-09-04T14:47:13.062837Z",
"structure_string": "Al8 C64 Br8 O40\n1.0\n-10.975007 10.975007 5.060099\n10.975007 -10.975007 5.060099\n10.975007 10.975007 -5.060099\nAl C Br O\n8 64 8 40\ndirect\n0.625000 0.190946 0.065946 Al\n0.625000 0.559054 0.434054 Al\n0.440946 0.375000 0.565946 Al\n0.440946 0.875000 0.065946 Al\n0.125000 0.190946 0.565946 Al\n0.125000 0.559054 0.934054 Al\n0.809054 0.375000 0.934054 Al\n0.809054 0.875000 0.434054 Al\n0.441025 0.028541 0.177445 C\n0.441025 0.263580 0.412484 C\n0.278541 0.191025 0.677445 C\n0.278541 0.601097 0.087516 C\n0.851097 0.028541 0.587516 C\n0.851097 0.263580 0.822555 C\n0.513580 0.191025 0.912484 C\n0.513580 0.601097 0.322555 C\n0.808975 0.721459 0.322555 C\n0.808975 0.486420 0.087516 C\n0.971459 0.558975 0.822555 C\n0.971459 0.148903 0.412484 C\n0.398903 0.721459 0.912484 C\n0.398903 0.486420 0.677445 C\n0.736420 0.558975 0.587516 C\n0.736420 0.148903 0.177445 C\n0.388737 0.027777 0.248437 C\n0.388737 0.140300 0.360960 C\n0.277777 0.138737 0.748437 C\n0.277777 0.529340 0.139040 C\n0.779340 0.027777 0.639040 C\n0.779340 0.140300 0.751563 C\n0.390300 0.138737 0.860960 C\n0.390300 0.529340 0.251563 C\n0.861263 0.722223 0.251563 C\n0.861263 0.609700 0.139040 C\n0.972223 0.611263 0.751563 C\n0.972223 0.220660 0.360960 C\n0.470660 0.722223 0.860960 C\n0.470660 0.609700 0.748437 C\n0.859700 0.611263 0.639040 C\n0.859700 0.220660 0.248437 C\n0.435181 0.142625 0.292556 C\n0.392625 0.185181 0.792556 C\n0.392625 0.600069 0.207444 C\n0.850069 0.142625 0.707444 C\n0.814819 0.607375 0.207444 C\n0.857375 0.564819 0.707444 C\n0.857375 0.149931 0.292556 C\n0.399931 0.607375 0.792556 C\n0.290431 0.919459 0.285531 C\n0.290431 0.004900 0.370972 C\n0.169459 0.040431 0.785531 C\n0.169459 0.383928 0.129028 C\n0.633928 0.919459 0.629028 C\n0.633928 0.004900 0.714469 C\n0.254900 0.040431 0.870972 C\n0.254900 0.383928 0.214469 C\n0.959569 0.830541 0.214469 C\n0.959569 0.745100 0.129028 C\n0.080541 0.709569 0.714469 C\n0.080541 0.366072 0.370972 C\n0.616072 0.830541 0.870972 C\n0.616072 0.745100 0.785531 C\n0.995100 0.709569 0.629028 C\n0.995100 0.366072 0.285531 C\n0.216533 0.872500 0.344033 C\n0.122500 0.966532 0.844033 C\n0.122500 0.278467 0.155967 C\n0.528467 0.872500 0.655967 C\n0.033467 0.877500 0.155967 C\n0.127500 0.783467 0.655967 C\n0.127500 0.471533 0.344033 C\n0.721533 0.877500 0.844033 C\n0.067211 0.695915 0.371295 Br\n0.945915 0.817211 0.871295 Br\n0.945915 0.074620 0.128705 Br\n0.324620 0.695915 0.628705 Br\n0.182789 0.054085 0.128705 Br\n0.304085 0.932789 0.628705 Br\n0.304085 0.675380 0.371295 Br\n0.925380 0.054085 0.871295 Br\n0.507334 0.007334 0.014668 O\n0.507334 0.492666 0.500000 O\n0.257334 0.257334 0.514668 O\n0.257334 0.742666 0.000000 O\n0.992666 0.007334 0.500000 O\n0.992666 0.492666 0.985332 O\n0.742666 0.257334 0.000000 O\n0.742666 0.742666 0.485332 O\n0.507851 0.129465 0.143062 O\n0.507851 0.364789 0.378386 O\n0.379465 0.257851 0.643062 O\n0.379465 0.736403 0.121614 O\n0.986403 0.129465 0.621614 O\n0.986403 0.364789 0.856938 O\n0.614789 0.257851 0.878386 O\n0.614789 0.736403 0.356938 O\n0.742149 0.620535 0.356938 O\n0.742149 0.385211 0.121614 O\n0.870535 0.492149 0.856938 O\n0.870535 0.013597 0.378386 O\n0.263597 0.620535 0.878386 O\n0.263597 0.385211 0.643062 O\n0.635211 0.492149 0.621614 O\n0.635211 0.013597 0.143062 O\n0.416091 0.931500 0.161437 O\n0.416091 0.254654 0.484591 O\n0.181500 0.166091 0.661437 O\n0.181500 0.520063 0.015409 O\n0.770063 0.931500 0.515409 O\n0.770063 0.254654 0.838563 O\n0.504654 0.166091 0.984591 O\n0.504654 0.520063 0.338563 O\n0.833909 0.818500 0.338563 O\n0.833909 0.495346 0.015409 O\n0.068500 0.583909 0.838563 O\n0.068500 0.229937 0.484591 O\n0.479937 0.818500 0.984591 O\n0.479937 0.495346 0.661437 O\n0.745346 0.583909 0.515409 O\n0.745346 0.229937 0.161437 O\n",
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"formula_full": "Al8 C64 Br8 O40",
"formula_reduced": "AlC8BrO5",
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{
"id": "mp-1111700",
"created_at": "2022-09-04T14:47:13.109785Z",
"structure_string": "Na3 Tl1 Br6\n1.0\n0.000000 5.625807 5.625807\n5.625807 0.000000 5.625807\n5.625807 5.625807 0.000000\nNa Tl Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.754686 0.245314 0.245314 Br\n0.245314 0.245314 0.754686 Br\n0.245314 0.754686 0.754686 Br\n0.245314 0.754686 0.245314 Br\n0.754686 0.245314 0.754686 Br\n0.754686 0.754686 0.245314 Br\n",
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"formula_full": "Na3 Tl1 Br6",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:47:13.115507Z",
"structure_string": "Ca4 Ga4 Pt4\n1.0\n4.470556 0.000000 0.000000\n0.000000 7.174344 0.000000\n0.000000 0.000000 7.621832\nCa Ga Pt\n4 4 4\ndirect\n0.750000 0.988810 0.688436 Ca\n0.250000 0.011190 0.311564 Ca\n0.750000 0.488810 0.811564 Ca\n0.250000 0.511190 0.188436 Ca\n0.750000 0.833631 0.077684 Ga\n0.250000 0.166369 0.922316 Ga\n0.750000 0.333631 0.422316 Ga\n0.250000 0.666369 0.577684 Ga\n0.750000 0.703895 0.398447 Pt\n0.250000 0.296105 0.601553 Pt\n0.750000 0.203895 0.101553 Pt\n0.250000 0.796105 0.898447 Pt\n",
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{
"id": "mp-1075956",
"created_at": "2022-09-04T14:47:13.122871Z",
"structure_string": "K4 Mo4 O10\n1.0\n-2.926806 2.977024 7.969514\n2.926806 -2.977024 7.969514\n2.926806 2.977024 -7.969514\nK Mo O\n4 4 10\ndirect\n0.873166 0.390440 0.478459 K\n0.126834 0.605293 0.517274 K\n0.411981 0.890440 0.517274 K\n0.588019 0.105293 0.478459 K\n0.000000 0.982846 0.982846 Mo\n0.500000 0.482846 0.982846 Mo\n0.813348 0.803399 0.116747 Mo\n0.186652 0.303399 0.990051 Mo\n0.757739 0.748219 0.488322 O\n0.242261 0.730584 0.990480 O\n0.759897 0.248219 0.990480 O\n0.240103 0.230584 0.488322 O\n0.819903 0.840505 0.936854 O\n0.180097 0.116951 0.020602 O\n0.403651 0.340505 0.020602 O\n0.596349 0.616951 0.936854 O\n0.900285 0.117763 0.518048 O\n0.099715 0.617763 0.217479 O\n",
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{
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"structure_string": "Ta6 Cr2 S12\n1.0\n2.882137 -4.992007 0.000000\n2.882137 4.992007 0.000000\n0.000000 0.000000 12.223577\nTa Cr S\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.997871 Ta\n0.666667 0.333333 0.002129 Ta\n0.666667 0.333333 0.497871 Ta\n0.333333 0.666667 0.502129 Ta\n0.333333 0.666667 0.250000 Cr\n0.666667 0.333333 0.750000 Cr\n0.332203 0.332304 0.370513 S\n0.667696 0.999898 0.370513 S\n0.000102 0.667797 0.370513 S\n0.332304 0.332203 0.629487 S\n0.999898 0.667696 0.629487 S\n0.667797 0.000102 0.629487 S\n0.667797 0.667696 0.870513 S\n0.332304 0.000102 0.870513 S\n0.999898 0.332203 0.870513 S\n0.667696 0.667797 0.129487 S\n0.000102 0.332304 0.129487 S\n0.332203 0.999898 0.129487 S\n",
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{
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{
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{
"id": "mp-1283894",
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"structure_string": "Cs4 Co4 O8\n1.0\n4.306676 -0.000008 4.317006\n4.222122 -0.000013 -4.232116\n-0.000021 8.528320 0.000005\nCs Co O\n4 4 8\ndirect\n0.999999 0.000001 0.498479 Cs\n0.500000 0.500001 0.004490 Cs\n0.500000 0.999998 0.751664 Cs\n0.000001 0.500000 0.245463 Cs\n0.500001 0.500000 0.498550 Co\n0.000003 0.499996 0.751426 Co\n0.000000 0.000000 0.001058 Co\n0.500002 0.999999 0.249336 Co\n0.249997 0.998938 0.125017 O\n0.749971 0.500214 0.624936 O\n0.501636 0.742832 0.365885 O\n0.998741 0.257030 0.883930 O\n0.498360 0.257169 0.365885 O\n0.001256 0.742968 0.883928 O\n0.750004 0.001063 0.125021 O\n0.250028 0.499790 0.624933 O\n",
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{
"id": "mp-1174840",
"created_at": "2022-09-04T14:47:13.662661Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.482315 6.278003 0.000000\n-1.482315 6.278003 0.000000\n0.000000 4.868196 13.593913\nLi Mn Co O\n8 2 4 14\ndirect\n0.282784 0.282784 0.076410 Li\n0.841262 0.841262 0.227198 Li\n0.425211 0.425211 0.364881 Li\n0.722997 0.722997 0.918076 Li\n0.147715 0.147715 0.772010 Li\n0.003918 0.003918 0.501982 Li\n0.571809 0.571809 0.639746 Li\n0.146684 0.146684 0.284594 Li\n0.998070 0.998071 0.000310 Mn\n0.574828 0.574828 0.147590 Mn\n0.712442 0.712442 0.423527 Co\n0.286307 0.286307 0.572324 Co\n0.857093 0.857093 0.718619 Co\n0.428132 0.428132 0.852836 Co\n0.441020 0.441020 0.095382 O\n0.008000 0.008000 0.234279 O\n0.585128 0.585128 0.399594 O\n0.868905 0.868905 0.962759 O\n0.283543 0.283543 0.817294 O\n0.154673 0.154673 0.530811 O\n0.721695 0.721695 0.673566 O\n0.128280 0.128280 0.048253 O\n0.705416 0.705416 0.174718 O\n0.282672 0.282672 0.329474 O\n0.563721 0.563721 0.911578 O\n0.994519 0.994519 0.748849 O\n0.844217 0.844217 0.464601 O\n0.418959 0.418959 0.608739 O\n",
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}
]
}