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"created_at": "2022-09-04T14:38:06.926521Z",
"updated_at": "2022-09-04T14:38:06.926543Z",
"structure_string": "H16 Rh1 N5 Cl6 O3\n1.0\n-3.426108 -5.934192 0.000000\n-3.425927 5.934087 0.000395\n3.426466 -1.978271 -8.313833\nH Rh N Cl O\n16 1 5 6 3\ndirect\n0.663320 0.326634 0.989950 H\n0.755888 0.222084 0.827518 H\n0.466165 0.071595 0.827526 H\n0.875058 0.750085 0.625085 H\n0.271714 0.524961 0.538624 H\n0.253225 0.266920 0.538643 H\n0.013658 0.285390 0.538613 H\n0.728267 0.714609 0.461386 H\n0.605412 0.361337 0.827536 H\n0.746753 0.475039 0.461375 H\n0.124974 0.249914 0.374914 H\n0.394571 0.928404 0.172473 H\n0.533806 0.777916 0.172480 H\n0.244075 0.638663 0.172463 H\n0.336687 0.673367 0.010049 H\n0.986306 0.733080 0.461356 H\n-0.000008 -0.000000 -0.000000 Rh\n0.621669 0.243358 0.865051 N\n0.166587 0.333186 0.499785 N\n0.500002 -0.000000 0.499999 N\n0.378310 0.756643 0.134949 N\n0.833401 0.666814 0.500214 N\n0.906179 0.283332 0.171169 Cl\n0.377129 0.265031 0.171169 Cl\n0.887858 0.794031 0.171150 Cl\n0.093826 0.205970 0.828848 Cl\n0.112099 0.734970 0.828830 Cl\n0.622848 0.716669 0.828830 Cl\n0.314875 -0.000000 0.499999 O\n0.685129 0.185120 0.499980 O\n0.500008 0.814881 0.500019 O\n",
"nsites": 31,
"nelements": 5,
"elements": [
"H",
"Rh",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Rh",
"density": 2.2094620060534207,
"density_atomic": 0.09170580578651547,
"volume": 338.0374855673345,
"volume_molar": 6.566804258848247,
"formula_full": "H16 Rh1 N5 Cl6 O3",
"formula_reduced": "H16RhN5(Cl2O)3",
"formula_anonymous": "AB3C5D6E16",
"energy_above_hull": 3.2079362630645165,
"spacegroup": 155
}
]
}