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"structure_string": "Li12 B20 H8 O40\n1.0\n6.834814 0.000000 0.000000\n-0.000000 6.834814 0.000000\n-0.000000 0.000000 14.543293\nLi B H O\n12 20 8 40\ndirect\n0.639040 0.348858 0.342837 Li\n0.305901 0.305901 0.000000 Li\n0.194099 0.805900 0.250000 Li\n0.805900 0.194099 0.750000 Li\n0.139040 0.151142 0.407163 Li\n0.860959 0.848858 0.907163 Li\n0.694099 0.694099 0.500000 Li\n0.651142 0.360959 0.157163 Li\n0.151142 0.139040 0.592837 Li\n0.848858 0.860959 0.092837 Li\n0.360959 0.651142 0.842837 Li\n0.348858 0.639040 0.657163 Li\n0.251775 0.008218 0.894542 B\n0.561886 0.561886 0.000000 B\n0.438113 0.438113 0.500000 B\n0.938113 0.061887 0.250000 B\n0.061887 0.938113 0.750000 B\n0.008218 0.251775 0.105457 B\n0.991781 0.748224 0.605457 B\n0.248225 0.508218 0.355457 B\n0.751775 0.491781 0.855457 B\n0.748224 0.991781 0.394542 B\n0.241443 0.751482 0.476798 B\n0.508218 0.248225 0.644542 B\n0.251482 0.258557 0.226798 B\n0.748517 0.741442 0.726798 B\n0.758557 0.248518 0.976798 B\n0.258557 0.251482 0.773202 B\n0.741442 0.748517 0.273202 B\n0.248518 0.758557 0.023202 B\n0.751482 0.241443 0.523202 B\n0.491781 0.751775 0.144542 B\n0.505290 0.911072 0.736896 H\n0.588928 0.005290 0.986896 H\n0.494709 0.088928 0.236896 H\n0.411072 0.994709 0.486896 H\n0.005290 0.588928 0.013104 H\n0.088928 0.494709 0.763104 H\n0.911072 0.505290 0.263104 H\n0.994709 0.411072 0.513104 H\n0.730372 0.035836 0.988175 O\n0.269627 0.964164 0.488175 O\n0.535836 0.769627 0.738175 O\n0.464164 0.230372 0.238175 O\n0.824317 0.125671 0.332627 O\n0.175682 0.874328 0.832627 O\n0.625671 0.675682 0.082628 O\n0.374328 0.324317 0.582627 O\n0.125671 0.824317 0.667372 O\n0.675682 0.625671 0.917372 O\n0.324317 0.374328 0.417372 O\n0.700524 0.224334 0.621892 O\n0.299475 0.775666 0.121892 O\n0.724334 0.799475 0.371892 O\n0.275666 0.200524 0.871892 O\n0.775666 0.299475 0.878107 O\n0.224334 0.700524 0.378107 O\n0.874328 0.175682 0.167372 O\n0.230372 0.464164 0.761824 O\n0.035836 0.730372 0.011824 O\n0.964164 0.269627 0.511824 O\n0.799475 0.724334 0.628107 O\n0.646378 0.405193 0.480156 O\n0.353621 0.594806 0.980156 O\n0.905193 0.853621 0.230156 O\n0.094807 0.146379 0.730156 O\n0.594806 0.353621 0.019844 O\n0.405193 0.646378 0.519844 O\n0.853621 0.905193 0.769844 O\n0.146379 0.094807 0.269844 O\n0.693452 0.049700 0.480947 O\n0.306547 0.950299 0.980947 O\n0.549700 0.806547 0.230947 O\n0.450299 0.193453 0.730947 O\n0.950299 0.306547 0.019053 O\n0.049700 0.693452 0.519053 O\n0.806547 0.549700 0.769053 O\n0.193453 0.450299 0.269053 O\n0.769627 0.535836 0.261824 O\n0.200524 0.275666 0.128108 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "B-H-Li-O",
"density": 2.315985177651381,
"density_atomic": 0.11775350214379963,
"volume": 679.3853137574171,
"volume_molar": 5.114192487154912,
"formula_full": "Li12 B20 H8 O40",
"formula_reduced": "Li3B5(HO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 3.2785368958333336,
"spacegroup": 92
},
{
"id": "jvasp-51903",
"created_at": "2022-09-04T14:37:13.903933Z",
"updated_at": "2022-09-04T14:37:13.903955Z",
"structure_string": "Li8 C2 O8\n1.0\n0.000000 4.594971 0.004659\n5.459198 0.000000 0.000000\n0.000000 -4.434724 -6.097340\nLi C O\n8 2 8\ndirect\n0.352982 0.673471 0.958930 Li\n0.551500 0.933047 0.599876 Li\n0.776050 0.530140 0.360775 Li\n0.352982 0.326529 0.458930 Li\n0.928173 0.054682 0.964809 Li\n0.776050 0.469861 0.860775 Li\n0.551500 0.066954 0.099876 Li\n0.928173 0.945318 0.464809 Li\n0.142804 0.198834 0.744896 C\n0.142804 0.801166 0.244896 C\n0.450613 0.801054 0.244646 O\n0.212162 0.668071 0.427465 O\n0.840910 0.716499 0.046290 O\n0.212162 0.331929 0.927465 O\n0.840910 0.283502 0.546290 O\n0.069079 0.051574 0.271001 O\n0.450614 0.198946 0.744646 O\n0.069080 0.948426 0.771001 O\n",
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"elements": [
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],
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"density": 2.254908341544023,
"density_atomic": 0.11777167793844893,
"volume": 152.83810433105444,
"volume_molar": 5.113403209850975,
"formula_full": "Li8 C2 O8",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 7
}
]
}