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{
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{
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{
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{
"id": "mp-1214071",
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"structure_string": "Co4 Br8 O48\n1.0\n9.672078 0.000000 0.000000\n0.000000 9.672078 0.000000\n0.000000 0.000000 9.672078\nCo Br O\n4 8 48\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.261796 0.261796 0.261796 Br\n0.738204 0.738204 0.738204 Br\n0.238204 0.738204 0.761796 Br\n0.738204 0.761796 0.238204 Br\n0.761796 0.261796 0.238204 Br\n0.261796 0.238204 0.761796 Br\n0.761796 0.238204 0.738204 Br\n0.238204 0.761796 0.261796 Br\n0.126565 0.345712 0.187849 O\n0.873435 0.654288 0.812151 O\n0.373435 0.654288 0.687849 O\n0.873435 0.845712 0.312151 O\n0.187849 0.126565 0.345712 O\n0.626565 0.345712 0.312151 O\n0.126565 0.154288 0.687849 O\n0.812151 0.873435 0.654288 O\n0.626565 0.154288 0.812151 O\n0.687849 0.373435 0.654288 O\n0.373435 0.845712 0.187849 O\n0.312151 0.626565 0.345712 O\n0.312151 0.873435 0.845712 O\n0.687849 0.126565 0.154288 O\n0.812151 0.626565 0.154288 O\n0.187849 0.373435 0.845712 O\n0.345712 0.187849 0.126565 O\n0.654288 0.812151 0.873435 O\n0.845712 0.312151 0.873435 O\n0.154288 0.687849 0.126565 O\n0.154288 0.812151 0.626565 O\n0.845712 0.187849 0.373435 O\n0.654288 0.687849 0.373435 O\n0.345712 0.312151 0.626565 O\n0.176334 0.452407 0.467956 O\n0.823666 0.547593 0.532044 O\n0.323666 0.547593 0.967956 O\n0.823666 0.952407 0.032044 O\n0.467956 0.176334 0.452407 O\n0.676334 0.452407 0.032044 O\n0.176334 0.047593 0.967956 O\n0.532044 0.823666 0.547593 O\n0.676334 0.047593 0.532044 O\n0.967956 0.323666 0.547593 O\n0.323666 0.952407 0.467956 O\n0.032044 0.676334 0.452407 O\n0.032044 0.823666 0.952407 O\n0.967956 0.176334 0.047593 O\n0.532044 0.676334 0.047593 O\n0.467956 0.323666 0.952407 O\n0.452407 0.467956 0.176334 O\n0.547593 0.532044 0.823666 O\n0.952407 0.032044 0.823666 O\n0.047593 0.967956 0.176334 O\n0.047593 0.532044 0.676334 O\n0.952407 0.467956 0.323666 O\n0.547593 0.967956 0.323666 O\n0.452407 0.032044 0.676334 O\n",
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"volume": 904.8141227591901,
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"updated_at": "2021-11-28T01:38:36.144000Z",
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{
"id": "mp-1181907",
"created_at": "2022-09-04T14:47:22.625155Z",
"structure_string": "Co2 Br4 O12\n1.0\n5.452123 0.000000 0.000000\n0.000000 8.329938 0.000000\n0.000000 2.985649 10.863326\nCo Br O\n2 4 12\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.750000 0.734248 0.895208 Br\n0.250000 0.265752 0.104792 Br\n0.750000 0.624212 0.445771 Br\n0.250000 0.375788 0.554229 Br\n0.750000 0.330606 0.847125 O\n0.250000 0.669394 0.152875 O\n0.750000 0.442753 0.101413 O\n0.250000 0.557247 0.898587 O\n0.750000 0.176567 0.876488 O\n0.250000 0.823433 0.123512 O\n0.750000 0.232505 0.364778 O\n0.250000 0.767495 0.635222 O\n0.750000 0.457810 0.575869 O\n0.250000 0.542190 0.424131 O\n0.750000 0.103056 0.449115 O\n0.250000 0.896944 0.550885 O\n",
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{
"id": "mp-1181939",
"created_at": "2022-09-04T14:41:36.294121Z",
"structure_string": "Co8 Br8 O8\n1.0\n5.818007 0.000000 0.000000\n-0.003354 6.399702 0.000000\n-0.157806 -0.022389 12.650921\nCo Br O\n8 8 8\ndirect\n0.210827 0.631523 0.996004 Co\n0.723676 0.380671 0.504546 Co\n0.789462 0.867863 0.498926 Co\n0.288214 0.131131 0.004143 Co\n0.789117 0.368773 0.003875 Co\n0.290783 0.631803 0.493747 Co\n0.214956 0.132343 0.501038 Co\n0.711720 0.869028 0.995566 Co\n0.930859 0.582999 0.359578 Br\n0.433984 0.411201 0.142232 Br\n0.064660 0.909461 0.858263 Br\n0.560099 0.084787 0.642394 Br\n0.058377 0.412669 0.639064 Br\n0.565505 0.588860 0.857747 Br\n0.934878 0.090535 0.141857 Br\n0.429680 0.907965 0.356579 Br\n0.889419 0.642182 0.048843 O\n0.400807 0.357111 0.453173 O\n0.114008 0.859000 0.545855 O\n0.609864 0.141571 0.951335 O\n0.110409 0.357953 0.951153 O\n0.607702 0.642489 0.549445 O\n0.880982 0.139577 0.455932 O\n0.390014 0.858501 0.048700 O\n",
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{
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"structure_string": "Co8 Br8 O8\n1.0\n5.881289 0.000000 0.000000\n0.000000 6.362369 0.000000\n0.000000 0.000000 12.676452\nCo Br O\n8 8 8\ndirect\n0.207559 0.134036 0.504995 Co\n0.707559 0.865964 0.995005 Co\n0.792441 0.365964 0.004995 Co\n0.292441 0.634036 0.495005 Co\n0.792441 0.865964 0.495005 Co\n0.292441 0.134036 0.004995 Co\n0.207559 0.634036 0.995005 Co\n0.707559 0.365964 0.504995 Co\n0.930965 0.092223 0.142087 Br\n0.430965 0.907777 0.357913 Br\n0.069035 0.407777 0.642087 Br\n0.569035 0.592223 0.857913 Br\n0.069035 0.907777 0.857913 Br\n0.569035 0.092223 0.642087 Br\n0.930965 0.592223 0.357913 Br\n0.430965 0.407777 0.142087 Br\n0.888688 0.144419 0.451587 O\n0.388688 0.855581 0.048413 O\n0.111312 0.355581 0.951587 O\n0.611312 0.644419 0.548413 O\n0.111312 0.855581 0.548413 O\n0.611312 0.144419 0.951587 O\n0.888688 0.644419 0.048413 O\n0.388688 0.355581 0.451587 O\n",
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{
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{
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"structure_string": "Co4 Br12 N20\n1.0\n0.000000 0.000000 -6.366954\n0.000000 -7.699344 0.000000\n-18.406733 0.000000 0.000000\nCo Br N\n4 12 20\ndirect\n0.230931 0.750000 0.132610 Co\n0.269069 0.750000 0.632610 Co\n0.769069 0.250000 0.867390 Co\n0.730931 0.250000 0.367390 Co\n0.458898 0.750000 0.848090 Br\n0.041102 0.750000 0.348090 Br\n0.541102 0.250000 0.151910 Br\n0.958898 0.250000 0.651910 Br\n0.707228 0.537477 0.665282 Br\n0.792772 0.962523 0.165282 Br\n0.292772 0.037477 0.334718 Br\n0.207228 0.462523 0.834718 Br\n0.292772 0.462523 0.334718 Br\n0.207228 0.037477 0.834718 Br\n0.707228 0.962523 0.665282 Br\n0.792772 0.537477 0.165282 Br\n0.215031 0.750000 0.011472 N\n0.284969 0.750000 0.511472 N\n0.784969 0.250000 0.988528 N\n0.715031 0.250000 0.488528 N\n0.951475 0.750000 0.163058 N\n0.548525 0.750000 0.663058 N\n0.048525 0.250000 0.836942 N\n0.451475 0.250000 0.336942 N\n0.424215 0.750000 0.185138 N\n0.075785 0.750000 0.685138 N\n0.575785 0.250000 0.814862 N\n0.924215 0.250000 0.314862 N\n0.261692 0.884762 0.052124 N\n0.238308 0.615238 0.552124 N\n0.738308 0.384762 0.947876 N\n0.761692 0.115238 0.447876 N\n0.738308 0.115238 0.947876 N\n0.761692 0.384762 0.447876 N\n0.261692 0.615238 0.052124 N\n0.238308 0.884762 0.552124 N\n",
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"elements": [
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"formula_full": "Co4 Br12 N20",
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"spacegroup": 62
},
{
"id": "mp-1196610",
"created_at": "2022-09-04T14:46:16.193071Z",
"structure_string": "Co4 Br12 N20\n1.0\n6.490806 0.000000 0.000000\n0.000000 10.480220 0.000000\n0.000000 0.000000 16.574228\nCo Br N\n4 12 20\ndirect\n0.231174 0.750000 0.348340 Co\n0.268826 0.750000 0.848340 Co\n0.768826 0.250000 0.651660 Co\n0.731174 0.250000 0.151660 Co\n0.082893 0.750000 0.657809 Br\n0.417107 0.750000 0.157809 Br\n0.917107 0.250000 0.342191 Br\n0.582893 0.250000 0.842191 Br\n0.683449 0.900350 0.812300 Br\n0.816551 0.599650 0.312300 Br\n0.316551 0.400350 0.187700 Br\n0.183449 0.099650 0.687700 Br\n0.316551 0.099650 0.187700 Br\n0.183449 0.400350 0.687700 Br\n0.683449 0.599650 0.812300 Br\n0.816551 0.900350 0.312300 Br\n0.264594 0.750000 0.468443 N\n0.235406 0.750000 0.968443 N\n0.735406 0.250000 0.531557 N\n0.764594 0.250000 0.031557 N\n0.353456 0.750000 0.264374 N\n0.146544 0.750000 0.764374 N\n0.646544 0.250000 0.735626 N\n0.853456 0.250000 0.235626 N\n0.955329 0.750000 0.345304 N\n0.544671 0.750000 0.845304 N\n0.044671 0.250000 0.654696 N\n0.455329 0.250000 0.154696 N\n0.259436 0.635827 0.460644 N\n0.240564 0.864173 0.960644 N\n0.740564 0.135827 0.539356 N\n0.759436 0.364173 0.039356 N\n0.740564 0.364173 0.539356 N\n0.759436 0.135827 0.039356 N\n0.259436 0.864173 0.460644 N\n0.240564 0.635827 0.960644 N\n",
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"elements": [
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"chemical_system": "Br-Co-N",
"density": 2.1719748552379783,
"density_atomic": 0.031930091536614254,
"volume": 1127.4631004022892,
"volume_molar": 18.86039303424611,
"formula_full": "Co4 Br12 N20",
"formula_reduced": "CoBr3N5",
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"updated_at": "2021-11-28T01:37:23.901000Z",
"spacegroup": 62
},
{
"id": "mp-1182544",
"created_at": "2022-09-04T14:45:08.590155Z",
"structure_string": "Co4 Br12 N20\n1.0\n6.869018 0.000000 0.000000\n0.000000 9.908942 0.000000\n0.000000 0.000000 16.661090\nCo Br N\n4 12 20\ndirect\n0.616329 0.250000 0.852360 Co\n0.883671 0.250000 0.352360 Co\n0.383671 0.750000 0.147640 Co\n0.116329 0.750000 0.647640 Co\n0.618868 0.250000 0.100150 Br\n0.881132 0.250000 0.600150 Br\n0.381132 0.750000 0.899850 Br\n0.118868 0.750000 0.399850 Br\n0.256061 0.408912 0.290921 Br\n0.243939 0.091088 0.790921 Br\n0.743939 0.908912 0.709079 Br\n0.756061 0.591088 0.209079 Br\n0.743939 0.591088 0.709079 Br\n0.756061 0.908912 0.209079 Br\n0.256061 0.091088 0.290921 Br\n0.243939 0.408912 0.790921 Br\n0.656169 0.250000 0.980530 N\n0.843831 0.250000 0.480530 N\n0.343831 0.750000 0.019470 N\n0.156169 0.750000 0.519470 N\n0.768384 0.250000 0.782675 N\n0.731616 0.250000 0.282675 N\n0.231616 0.750000 0.217325 N\n0.268384 0.750000 0.717325 N\n0.357025 0.250000 0.832506 N\n0.142975 0.250000 0.332506 N\n0.642975 0.750000 0.167494 N\n0.857025 0.750000 0.667494 N\n0.663703 0.137529 0.942493 N\n0.836297 0.362471 0.442493 N\n0.336297 0.637529 0.057507 N\n0.163703 0.862471 0.557507 N\n0.336297 0.862471 0.057507 N\n0.163703 0.637529 0.557507 N\n0.663703 0.362471 0.942493 N\n0.836297 0.137529 0.442493 N\n",
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"volume": 1134.0321085002522,
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"formula_full": "Co4 Br12 N20",
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"updated_at": "2021-11-28T01:36:48.809000Z",
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}
]
}