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{
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{
"id": "jvasp-114009",
"created_at": "2022-09-04T14:38:43.971674Z",
"updated_at": "2022-09-04T14:38:43.971692Z",
"structure_string": "Zr1 B1 O3\n1.0\n3.435056 -0.000000 -0.000000\n-0.000000 3.435056 -0.000000\n-0.000000 -0.000000 3.435056\nZr B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"B",
"O"
],
"chemical_system": "B-O-Zr",
"density": 6.1466007570833785,
"density_atomic": 0.12335834657752585,
"volume": 40.53232017711665,
"volume_molar": 4.881826748719693,
"formula_full": "Zr1 B1 O3",
"formula_reduced": "ZrBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.0263695166666658,
"spacegroup": 221
}
]
}