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"created_at": "2022-09-04T14:36:55.056601Z",
"updated_at": "2022-09-04T14:36:55.056634Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n5.575418 0.098349 -0.810583\n-2.462637 4.841939 -1.604572\n-0.066337 0.151725 5.970902\nZr H C O\n1 6 5 4\ndirect\n0.341591 0.765688 0.681270 Zr\n-0.008127 0.624820 -0.071960 H\n-0.023668 0.091355 0.884031 H\n0.899502 0.287558 0.311015 H\n0.765152 0.465271 0.428874 H\n0.208597 0.909822 0.260510 H\n0.288764 0.163389 0.513278 H\n0.470642 0.466806 0.143329 C\n0.770281 0.062041 0.852200 C\n0.423945 0.570303 0.329697 C\n0.675503 0.239916 0.894249 C\n0.522474 0.377881 0.920603 C\n0.429502 0.448764 0.737049 O\n0.914436 0.415060 0.464374 O\n0.151805 0.785826 0.945417 O\n0.213763 0.959546 0.436215 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.2403177254793687,
"density_atomic": 0.0975336466166806,
"volume": 164.04595290978915,
"volume_molar": 6.174423872069261,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.608107406249999,
"spacegroup": 1
}
]
}