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{
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"structure_string": "H20 C20 O8\n1.0\n5.612637 -0.003392 1.007166\n1.496770 7.284752 2.038449\n-0.163130 -0.270576 10.333612\nH C O\n20 20 8\ndirect\n0.685558 0.917629 0.515702 H\n0.091959 0.240733 0.109299 H\n0.908042 0.759266 0.890701 H\n0.212748 0.396800 0.974994 H\n0.787252 0.603200 0.025006 H\n0.398193 0.176805 0.035200 H\n0.733248 0.096754 0.832328 H\n0.266753 0.903245 0.167672 H\n0.937638 0.187116 0.699990 H\n0.062363 0.812883 0.300010 H\n0.601807 0.823194 0.964801 H\n0.909178 0.523870 0.430819 H\n0.034693 0.769049 0.641011 H\n0.965307 0.230950 0.358990 H\n0.344730 0.812341 0.769818 H\n0.655270 0.187658 0.230182 H\n0.691810 0.560336 0.830311 H\n0.308191 0.439664 0.169690 H\n0.314443 0.082371 0.484299 H\n0.090822 0.476130 0.569181 H\n0.544088 0.811050 0.400211 C\n0.455913 0.188950 0.599789 C\n0.200426 0.779005 0.217875 C\n0.799574 0.220995 0.782125 C\n0.214322 0.251535 0.015352 C\n0.121069 0.173034 0.918919 C\n0.785678 0.748464 0.984649 C\n0.222336 0.495929 0.626275 C\n0.878932 0.826966 0.081081 C\n0.777665 0.504070 0.373725 C\n0.593199 0.374316 0.734826 C\n0.809205 0.339958 0.333140 C\n0.190796 0.660041 0.666861 C\n0.423105 0.353196 0.656768 C\n0.406801 0.625684 0.265174 C\n0.576896 0.646803 0.343233 C\n0.560837 0.541995 0.772217 C\n0.635974 0.315876 0.261586 C\n0.364026 0.684124 0.738415 C\n0.439163 0.458004 0.227783 C\n0.780418 0.968854 0.118915 O\n0.357775 0.935088 0.392850 O\n0.642226 0.064912 0.607150 O\n0.727461 0.813392 0.464743 O\n0.272540 0.186608 0.535257 O\n0.089684 0.721031 0.121829 O\n0.910317 0.278969 0.878171 O\n0.219582 0.031146 0.881086 O\n",
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"created_at": "2022-09-04T14:36:01.780455Z",
"updated_at": "2022-09-04T14:36:01.780479Z",
"structure_string": "Ge6 Sb4 O18\n1.0\n3.553367 -6.154614 -0.000000\n3.553367 6.154614 -0.000000\n-0.000000 0.000000 9.752635\nGe Sb O\n6 4 18\ndirect\n0.210151 0.918501 0.250000 Ge\n0.291648 0.210151 0.750000 Ge\n0.918502 0.708352 0.750000 Ge\n0.081499 0.291648 0.250000 Ge\n0.789850 0.081499 0.750000 Ge\n0.708352 0.789850 0.250000 Ge\n0.666667 0.333333 0.018106 Sb\n0.333333 0.666667 0.518106 Sb\n0.666667 0.333333 0.481894 Sb\n0.333333 0.666667 0.981895 Sb\n0.093373 0.433286 0.099100 O\n0.195203 0.926239 0.750000 O\n0.804798 0.073762 0.250000 O\n0.926239 0.731037 0.250000 O\n0.731037 0.804798 0.750000 O\n0.660087 0.093373 0.599100 O\n0.566715 0.660088 0.099100 O\n0.906628 0.566715 0.599100 O\n0.906628 0.566715 0.900901 O\n0.339914 0.906628 0.099100 O\n0.339914 0.906628 0.400900 O\n0.433286 0.339913 0.900901 O\n0.073762 0.268964 0.750000 O\n0.093373 0.433286 0.400900 O\n0.566715 0.660088 0.400900 O\n0.660087 0.093373 0.900901 O\n0.433286 0.339913 0.599100 O\n0.268964 0.195203 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ge",
"Sb",
"O"
],
"chemical_system": "Ge-O-Sb",
"density": 4.713608175745671,
"density_atomic": 0.06563948724485119,
"volume": 426.57249736813475,
"volume_molar": 9.17457008391299,
"formula_full": "Ge6 Sb4 O18",
"formula_reduced": "Ge3Sb2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.296294396428571,
"spacegroup": 176
}
]
}