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{
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{
"id": "mp-1221759",
"created_at": "2022-09-04T14:40:06.387903Z",
"structure_string": "Mn4 Hg3 Au1\n1.0\n3.231013 0.000000 0.000000\n0.000000 4.682700 0.000000\n0.000000 0.000000 9.540782\nMn Hg Au\n4 3 1\ndirect\n0.500000 0.500000 0.112807 Mn\n0.500000 0.500000 0.593221 Mn\n0.500000 0.000000 0.393569 Mn\n0.500000 0.000000 0.897921 Mn\n0.000000 0.500000 0.856199 Hg\n0.000000 0.000000 0.146314 Hg\n0.000000 0.000000 0.645656 Hg\n0.000000 0.500000 0.354312 Au\n",
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{
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"formula_full": "Sb4 P8 O28",
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{
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"created_at": "2022-09-04T14:40:00.408719Z",
"structure_string": "Zr4 Cr4 F6\n1.0\n5.063966 3.978226 0.000000\n-5.063966 3.978226 0.000000\n0.000000 0.319372 6.003296\nZr Cr F\n4 4 6\ndirect\n0.137723 0.137723 0.186167 Zr\n0.202929 0.674310 0.349523 Zr\n0.674310 0.202929 0.349523 Zr\n0.770412 0.770412 0.234549 Zr\n0.963984 0.501735 0.906448 Cr\n0.953266 0.953266 0.666829 Cr\n0.593467 0.593467 0.661631 Cr\n0.501735 0.963984 0.906448 Cr\n0.354291 0.354291 0.378343 F\n0.593765 0.224925 0.697643 F\n0.224925 0.593765 0.697643 F\n0.673256 0.421201 0.064139 F\n0.421201 0.673256 0.064139 F\n0.178737 0.178737 0.836973 F\n",
"nsites": 14,
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"elements": [
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"density": 4.7154612277599295,
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"volume": 241.8800142549308,
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"formula_full": "Zr4 Cr4 F6",
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"spacegroup": 8
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{
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"structure_string": "S4\n1.0\n5.891077 -1.185119 -0.003537\n-1.264447 5.901926 -0.003490\n-0.000217 0.004001 3.772683\nS\n4\ndirect\n0.332491 0.975856 0.749642 S\n0.667191 0.023684 0.749772 S\n0.021010 0.666242 0.250100 S\n0.979309 0.334218 0.250485 S\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:39:58.860495Z",
"structure_string": "Ba4 Y2 V6 O16\n1.0\n-3.969166 3.987346 -0.000062\n-3.996646 -4.014961 0.000101\n-3.982969 -0.014044 12.035720\nBa Y V O\n4 2 6 16\ndirect\n0.418819 0.918848 0.162330 Ba\n0.918852 0.418875 0.162288 Ba\n0.081343 0.581309 0.837329 Ba\n0.581342 0.081335 0.837282 Ba\n0.250008 0.749984 0.500022 Y\n0.749967 0.249985 0.500051 Y\n0.500051 0.500062 0.999879 V\n0.000068 0.000061 0.999873 V\n0.829536 0.829506 0.340992 V\n0.329627 0.329631 0.340762 V\n0.670384 0.670351 0.659262 V\n0.170458 0.170465 0.659069 V\n0.250073 0.249926 0.999917 O\n0.750001 0.750140 0.999920 O\n0.250031 0.750188 0.999901 O\n0.750051 0.249923 0.999902 O\n0.408037 0.408011 0.183962 O\n0.907995 0.907995 0.184004 O\n0.591935 0.591953 0.816095 O\n0.091990 0.092003 0.815987 O\n0.558296 0.058434 0.383249 O\n0.058505 0.558321 0.383248 O\n0.058064 0.057990 0.383980 O\n0.558019 0.558075 0.383977 O\n0.941518 0.441327 0.617074 O\n0.441364 0.941623 0.617074 O\n0.442050 0.442010 0.616291 O\n0.941618 0.941668 0.616286 O\n",
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"formula_full": "Ba4 Y2 V6 O16",
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{
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"created_at": "2022-09-04T14:40:00.464674Z",
"structure_string": "Ba1 Sm1 Fe1 Cu1 O5\n1.0\n3.927110 0.000000 0.000000\n0.000000 3.927110 0.000000\n0.000000 0.000000 8.038213\nBa Sm Fe Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.745329 Ba\n0.500000 0.500000 0.209286 Sm\n0.000000 0.000000 0.453520 Fe\n0.000000 0.000000 0.994648 Cu\n0.500000 0.000000 0.384158 O\n0.000000 0.500000 0.384158 O\n0.500000 0.000000 0.015299 O\n0.000000 0.500000 0.015299 O\n0.000000 0.000000 0.686303 O\n",
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"formula_full": "Ba1 Sm1 Fe1 Cu1 O5",
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{
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"structure_string": "Pu3 Np1\n1.0\n-2.260818 2.260818 4.471573\n2.260818 -2.260818 4.471573\n2.260818 2.260818 -4.471573\nPu Np\n3 1\ndirect\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 Np\n",
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}
]
}