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{
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{
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"structure_string": "Co4 B4 O10\n1.0\n3.109337 0.013949 0.025048\n-0.155313 6.261095 0.084189\n-0.092643 -2.243547 8.845149\nCo B O\n4 4 10\ndirect\n0.731160 0.215126 0.349107 Co\n0.268843 0.784873 0.650894 Co\n0.228267 0.381661 0.100075 Co\n0.771736 0.618338 0.899925 Co\n0.699074 0.687413 0.360244 B\n0.300929 0.312586 0.639756 B\n0.341815 0.883847 0.168278 B\n0.658189 0.116152 0.831722 B\n0.433964 0.135608 0.698880 O\n0.566039 0.864391 0.301121 O\n0.267385 0.515271 0.736693 O\n0.732618 0.484728 0.263308 O\n0.261521 0.700463 0.056234 O\n0.232869 0.095123 0.174546 O\n0.738482 0.299536 0.943766 O\n0.779173 0.727113 0.510401 O\n0.767134 0.904876 0.825454 O\n0.220830 0.272886 0.489599 O\n",
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"structure_string": "Zn4 Bi4 O10\n1.0\n3.544295 0.012593 -0.428465\n-0.008327 6.258888 0.116294\n-2.137726 -0.225992 12.018447\nZn Bi O\n4 4 10\ndirect\n0.896798 0.263370 0.146817 Zn\n0.634073 0.633754 0.883935 Zn\n0.133967 0.866242 0.383930 Zn\n0.396888 0.236649 0.646817 Zn\n0.641088 0.359307 0.391276 Bi\n-0.117511 0.761481 0.632363 Bi\n0.141217 0.140681 0.891274 Bi\n0.382426 0.738528 0.132368 Bi\n0.067001 0.151599 0.317120 O\n0.597881 0.728642 0.347795 O\n0.800981 0.576712 0.050890 O\n0.567137 0.348394 0.817128 O\n-0.715423 0.467567 0.534878 O\n0.097997 0.771349 0.847791 O\n-0.055095 0.100453 0.694924 O\n0.784673 0.032432 0.034888 O\n0.444832 0.399550 0.194924 O\n0.301038 0.923294 0.550884 O\n",
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"structure_string": "Ga2 Fe2 S5\n1.0\n3.615790 0.013274 14.715666\n1.792619 3.140164 14.715666\n0.022764 0.013274 15.153357\nGa Fe S\n2 2 5\ndirect\n0.725208 0.725204 0.725210 Ga\n0.274793 0.274792 0.274794 Ga\n0.136636 0.136635 0.136637 Fe\n0.863365 0.863361 0.863367 Fe\n0.631618 0.631615 0.631620 S\n0.225222 0.225221 0.225222 S\n0.368383 0.368381 0.368384 S\n0.774779 0.774775 0.774781 S\n0.500000 0.499998 0.500002 S\n",
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"structure_string": "Tb4 Al10 Ge4\n1.0\n8.227109 0.027902 0.000000\n-6.203550 5.403894 0.000000\n0.000000 0.000000 7.984100\nTb Al Ge\n4 10 4\ndirect\n0.884273 0.115726 0.418020 Tb\n0.115726 0.884273 0.581980 Tb\n0.615726 0.384273 0.918020 Tb\n0.384273 0.615726 0.081980 Tb\n0.467895 0.032104 0.250000 Al\n0.532104 0.967895 0.750000 Al\n0.032104 0.467895 0.750000 Al\n0.967895 0.532104 0.250000 Al\n0.500000 0.499999 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.299618 0.200381 0.250000 Al\n0.700381 0.799617 0.750000 Al\n0.200381 0.299618 0.750000 Al\n0.799618 0.700381 0.250000 Al\n0.818263 0.181736 0.049416 Ge\n0.181736 0.818263 0.950584 Ge\n0.681736 0.318263 0.549416 Ge\n0.318263 0.681736 0.450584 Ge\n",
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"structure_string": "Li4 Ge4 O10\n1.0\n5.007285 0.001625 -0.000641\n-0.001757 5.548069 -2.187817\n0.000879 0.055061 8.268193\nLi Ge O\n4 4 10\ndirect\n0.605795 0.703472 0.110488 Li\n0.105794 0.592983 0.889511 Li\n0.105786 0.403220 0.110487 Li\n0.605787 0.292733 0.889512 Li\n0.100210 0.013659 0.708482 Ge\n0.100218 0.982546 0.291511 Ge\n0.600210 0.305178 0.291518 Ge\n0.600218 0.691034 0.708488 Ge\n0.498720 0.498128 0.499998 O\n0.955177 0.746476 0.731027 O\n0.455176 0.015449 0.268972 O\n0.455178 0.980778 0.731031 O\n0.955179 0.249745 0.268968 O\n0.989463 0.723554 0.131425 O\n0.989456 0.272669 0.868565 O\n0.489455 0.404104 0.131434 O\n0.489463 0.592130 0.868574 O\n-0.001281 0.998130 0.500001 O\n",
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"chemical_system": "F-O-S",
"density": 2.427585682604415,
"density_atomic": 0.07224391299231553,
"volume": 498.3118785914775,
"volume_molar": 8.335845209049744,
"formula_full": "S8 O20 F8",
"formula_reduced": "S2O5F2",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.897337562777778,
"spacegroup": 114
}
]
}