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"id": "mp-1217511",
"created_at": "2022-09-04T14:39:23.701081Z",
"structure_string": "V4 Co1 H12 C2 N6 O20\n1.0\n3.746962 0.037304 -0.412561\n1.791573 -8.386494 -0.204620\n0.476456 0.015601 -18.523986\nV Co H C N O\n4 1 12 2 6 20\ndirect\n0.261955 0.898802 0.049410 V\n0.828998 0.909369 0.444436 V\n0.738045 0.101198 0.950590 V\n0.171002 0.090631 0.555564 V\n0.500000 0.500000 0.000000 Co\n0.620343 0.456308 0.201944 H\n0.811653 0.458178 0.314101 H\n0.379657 0.543692 0.798056 H\n0.188347 0.541822 0.685899 H\n0.532822 0.630206 0.150499 H\n0.801073 0.633756 0.360348 H\n0.467178 0.369794 0.849501 H\n0.198927 0.366244 0.639652 H\n0.476141 0.874769 0.210854 H\n0.677909 0.879002 0.291975 H\n0.523859 0.125231 0.789146 H\n0.322091 0.120998 0.708025 H\n0.663519 0.657014 0.254117 C\n0.336481 0.342986 0.745883 C\n0.615751 0.574646 0.196622 N\n0.784127 0.578064 0.312399 N\n0.384249 0.425354 0.803378 N\n0.215873 0.421936 0.687601 N\n0.601545 0.815147 0.252004 N\n0.398455 0.184853 0.747996 N\n0.470258 0.747106 0.739750 O\n0.692699 0.743197 0.679180 O\n0.529742 0.252894 0.260250 O\n0.307301 0.256803 0.320819 O\n0.183626 0.959836 0.133598 O\n0.849067 0.972689 0.357366 O\n0.816374 0.040164 0.866402 O\n0.150933 0.027311 0.642634 O\n0.369754 0.689794 0.053773 O\n0.903430 0.711691 0.442718 O\n0.630246 0.310206 0.946227 O\n0.096570 0.288309 0.557282 O\n0.770765 0.924199 0.021477 O\n0.294675 0.946873 0.467293 O\n0.229235 0.075801 0.978523 O\n0.705325 0.053127 0.532707 O\n0.580232 0.704860 0.621285 O\n0.419768 0.295140 0.378715 O\n0.950792 0.543752 0.968380 O\n0.049208 0.456248 0.031620 O\n",
"nsites": 45,
"nelements": 6,
"elements": [
"V",
"Co",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Co-H-N-O-V",
"density": 2.0064238549840487,
"density_atomic": 0.07736189705234583,
"volume": 581.6817026804731,
"volume_molar": 7.784375757907284,
"formula_full": "V4 Co1 H12 C2 N6 O20",
"formula_reduced": "V4CoH12C2(N3O10)2",
"formula_anonymous": "AB2C4D6E12F20",
"energy": -284.57247898,
"energy_per_atom": -6.323832866222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.96847898,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.998899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.759000Z",
"spacegroup": 2
}
]
}