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"created_at": "2022-09-04T14:37:31.600928Z",
"updated_at": "2022-09-04T14:37:31.600946Z",
"structure_string": "Nd4 Th4 O14\n1.0\n3.907363 0.000000 0.000000\n0.000000 7.994090 -0.000000\n0.000000 0.000000 11.304064\nNd Th O\n4 4 14\ndirect\n0.000000 0.250000 0.730524 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.750000 0.269476 Nd\n0.500000 0.000000 0.000000 Nd\n0.000000 0.250000 0.247253 Th\n0.000000 0.750000 0.752747 Th\n0.500000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.250000 0.623622 O\n0.500000 0.750000 0.886331 O\n0.000000 0.035081 0.872850 O\n0.000000 0.964919 0.127149 O\n0.000000 0.535081 0.127149 O\n0.500000 0.250000 0.113669 O\n0.000000 0.512280 0.621823 O\n0.000000 0.012280 0.378177 O\n0.000000 0.487720 0.378177 O\n0.000000 0.987720 0.621823 O\n0.500000 0.750000 0.631507 O\n0.000000 0.464919 0.872850 O\n0.500000 0.750000 0.376378 O\n0.500000 0.250000 0.368492 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nd",
"Th",
"O"
],
"chemical_system": "Nd-O-Th",
"density": 8.13176428532192,
"density_atomic": 0.06230677604671293,
"volume": 353.0916121146447,
"volume_molar": 9.665306315135053,
"formula_full": "Nd4 Th4 O14",
"formula_reduced": "Nd2Th2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.610476245454545,
"spacegroup": 51
}
]
}