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"structure_string": "Ba12 B8 N16\n1.0\n4.262086 0.000000 0.000000\n0.000000 11.104663 0.000000\n0.000000 0.000000 14.832829\nBa B N\n12 8 16\ndirect\n0.903291 0.311996 0.386111 Ba\n0.096710 0.811996 0.113889 Ba\n0.596711 0.688004 0.886111 Ba\n0.773053 0.154932 0.092802 Ba\n0.273053 0.345068 0.907198 Ba\n0.226948 0.654932 0.407198 Ba\n0.726948 0.845068 0.592802 Ba\n0.651375 0.962143 0.329335 Ba\n0.151374 0.537857 0.670665 Ba\n0.348626 0.462143 0.170665 Ba\n0.848627 0.037857 0.829336 Ba\n0.403290 0.188004 0.613889 Ba\n0.596026 0.499886 0.520964 B\n0.096026 0.000114 0.479036 B\n0.903975 0.500113 0.020964 B\n0.403975 -0.000114 0.979037 B\n0.232853 0.858641 0.738528 B\n0.732854 0.641359 0.261472 B\n0.767148 0.358641 0.761472 B\n0.267147 0.141359 0.238528 B\n0.429802 0.399859 0.504674 N\n0.348819 0.966978 0.715270 N\n0.848820 0.533022 0.284730 N\n0.929803 0.100141 0.495326 N\n0.651182 0.466978 0.784730 N\n0.410139 0.245738 0.258362 N\n0.089861 0.754262 0.758363 N\n0.589862 0.745738 0.241638 N\n0.215527 0.889145 0.463235 N\n0.715527 0.610855 0.536765 N\n0.151181 0.033022 0.215270 N\n0.784474 0.389145 0.036765 N\n0.570199 0.899859 0.995326 N\n0.070198 0.600141 0.004674 N\n0.910140 0.254262 0.741638 N\n0.284474 0.110855 0.963235 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
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],
"chemical_system": "B-Ba-N",
"density": 4.632605825830688,
"density_atomic": 0.05128034270085383,
"volume": 702.0233895472892,
"volume_molar": 11.74356574629469,
"formula_full": "Ba12 B8 N16",
"formula_reduced": "Ba3(BN2)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 19
},
{
"id": "jvasp-9783",
"created_at": "2022-09-04T14:37:08.650907Z",
"updated_at": "2022-09-04T14:37:08.650931Z",
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"elements": [
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],
"chemical_system": "Li-O-Si-Ti",
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"density_atomic": 0.09736448251380779,
"volume": 184.87234292491948,
"volume_molar": 6.1851515095825285,
"formula_full": "Li4 Ti2 Si2 O10",
"formula_reduced": "Li2TiSiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.359214937037037,
"spacegroup": 129
}
]
}