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{
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"structure_string": "Li4 B4 S8 O32\n1.0\n7.596727 0.000000 -0.354700\n0.000000 9.245400 0.000000\n-0.011403 0.000000 8.533832\nLi B S O\n4 4 8 32\ndirect\n0.237822 0.119106 0.534015 Li\n0.237822 0.880894 0.034015 Li\n0.720360 0.673448 0.869158 Li\n0.720360 0.326552 0.369158 Li\n0.217297 0.404235 0.019393 B\n0.217298 0.595765 0.519393 B\n0.733496 0.851086 0.397229 B\n0.733496 0.148914 0.897229 B\n0.087213 0.835614 0.371920 S\n0.643458 0.946717 0.101695 S\n0.643459 0.053283 0.601695 S\n0.087213 0.164386 0.871920 S\n0.119812 0.379987 0.320377 S\n0.573817 0.618283 0.516878 S\n0.573817 0.381717 0.016878 S\n0.119812 0.620013 0.820377 S\n0.391864 0.560213 0.462052 O\n0.590336 0.256032 0.896653 O\n0.590336 0.743968 0.396653 O\n0.211710 0.451301 0.182925 O\n0.211711 0.548699 0.682925 O\n0.086399 0.513750 0.423004 O\n0.683265 0.962757 0.279659 O\n0.683265 0.037243 0.779659 O\n0.759008 0.926212 0.548719 O\n0.759007 0.073788 0.048719 O\n0.177510 0.247516 0.011211 O\n0.177510 0.752484 0.511211 O\n0.391864 0.439787 0.962052 O\n0.086399 0.486250 0.923004 O\n0.166237 0.204077 0.728098 O\n0.949038 0.675870 0.771571 O\n0.087836 0.013921 0.914866 O\n0.087836 0.986079 0.414867 O\n0.709577 0.811008 0.045559 O\n0.709577 0.188992 0.545559 O\n0.460252 0.978515 0.066254 O\n0.460252 0.021485 0.566254 O\n0.897217 0.774962 0.363381 O\n0.949038 0.324130 0.271571 O\n0.242105 0.718160 0.898596 O\n0.242104 0.281840 0.398596 O\n0.699968 0.507016 0.487550 O\n0.699968 0.492984 0.987550 O\n0.571272 0.675258 0.674163 O\n0.571272 0.324742 0.174163 O\n0.166236 0.795923 0.228098 O\n0.897217 0.225038 0.863381 O\n",
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"density_atomic": 0.08008884294496277,
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"formula_full": "Li4 B4 S8 O32",
"formula_reduced": "LiB(SO4)2",
"formula_anonymous": "ABC2D8",
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},
{
"id": "jvasp-9731",
"created_at": "2022-09-04T14:37:06.053872Z",
"updated_at": "2022-09-04T14:37:06.053895Z",
"structure_string": "Y2 Si2 O7\n1.0\n4.733562 -0.001066 -0.590446\n-0.895956 5.418376 -1.477386\n-0.003493 0.000031 5.687196\nY Si O\n2 2 7\ndirect\n0.000000 0.306199 0.693801 Y\n-0.000000 0.693801 0.306199 Y\n0.413166 0.218763 0.218763 Si\n0.586833 0.781236 0.781236 Si\n0.777637 0.913588 0.613799 O\n0.222362 0.386200 0.086411 O\n0.222362 0.086412 0.386200 O\n0.777637 0.613799 0.913588 O\n0.500000 -0.000000 -0.000000 O\n0.284382 0.618920 0.618920 O\n0.715617 0.381080 0.381079 O\n",
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"elements": [
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],
"chemical_system": "O-Si-Y",
"density": 3.939050723276937,
"density_atomic": 0.075419916893698,
"volume": 145.8500679005541,
"volume_molar": 7.984814897751768,
"formula_full": "Y2 Si2 O7",
"formula_reduced": "Y2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8728956909090906,
"spacegroup": 12
}
]
}