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"created_at": "2022-09-04T14:36:05.455856Z",
"updated_at": "2022-09-04T14:36:05.455879Z",
"structure_string": "Ba4 Ca2 Pd6 O12\n1.0\n6.902139 0.029209 -2.225037\n-2.719122 6.344032 -2.225037\n-0.003767 -0.005740 8.743036\nBa Ca Pd O\n4 2 6 12\ndirect\n0.228383 0.771617 -0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Ba\n0.771618 0.228382 -0.000000 Ba\n0.328751 0.328751 0.657502 Ca\n0.671249 0.671249 0.342497 Ca\n0.327195 0.327195 -0.000000 Pd\n0.672805 0.672805 -0.000000 Pd\n0.992649 0.992649 0.302640 Pd\n0.690009 0.690009 0.697360 Pd\n0.309991 0.309991 0.302640 Pd\n0.007351 0.007351 0.697360 Pd\n0.466977 0.702559 0.796845 O\n0.312714 0.075959 0.388673 O\n0.687286 0.924041 0.611327 O\n0.670132 0.905713 0.203154 O\n0.924041 0.687286 0.611327 O\n0.094286 0.329868 0.796845 O\n0.533023 0.297441 0.203154 O\n0.329868 0.094287 0.796846 O\n0.297441 0.533023 0.203154 O\n0.905714 0.670132 0.203154 O\n0.075959 0.312714 0.388673 O\n0.702559 0.466977 0.796845 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Pd",
"O"
],
"chemical_system": "Ba-Ca-O-Pd",
"density": 6.324057680768066,
"density_atomic": 0.06260543133195912,
"volume": 383.3533207804667,
"volume_molar": 9.619198577305848,
"formula_full": "Ba4 Ca2 Pd6 O12",
"formula_reduced": "Ba2Ca(PdO2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.726199205,
"spacegroup": 69
}
]
}