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{
"id": "jvasp-108683",
"created_at": "2022-09-04T14:38:28.750369Z",
"updated_at": "2022-09-04T14:38:28.750389Z",
"structure_string": "Ba2 Nd1 Ta1 O6\n1.0\n5.306824 -0.000000 3.063896\n1.768941 5.003321 3.063896\n-0.000000 -0.000000 6.127792\nBa Nd Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.500000 0.500000 0.500001 Nd\n0.000000 0.000000 0.000000 Ta\n0.768521 0.231479 0.231480 O\n0.231478 0.768521 0.768522 O\n0.231478 0.768521 0.231480 O\n0.768521 0.231479 0.768522 O\n0.231479 0.231479 0.768521 O\n0.768521 0.768521 0.231480 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Ta",
"O"
],
"chemical_system": "Ba-Nd-O-Ta",
"density": 7.1016881188488785,
"density_atomic": 0.06146146857164843,
"volume": 162.7035642394803,
"volume_molar": 9.798237660038527,
"formula_full": "Ba2 Nd1 Ta1 O6",
"formula_reduced": "Ba2NdTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.340490364,
"spacegroup": 225
}
]
}