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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.94421555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.451000Z",
"spacegroup": 25
},
{
"id": "mp-1188718",
"created_at": "2022-09-04T14:43:17.221756Z",
"structure_string": "Ru2 N4 Cl8 O2\n1.0\n0.000000 0.000000 -7.314035\n2.968054 -8.642063 0.000000\n-7.111955 -1.615836 3.657017\nRu N Cl O\n2 4 8 2\ndirect\n0.101267 0.906278 0.202534 Ru\n0.898733 0.093722 0.797466 Ru\n0.000000 0.000000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.156530 0.429570 0.313061 N\n0.843470 0.570430 0.686939 N\n0.977743 0.329542 0.340546 Cl\n0.362803 0.329542 0.340546 Cl\n0.022257 0.670458 0.659454 Cl\n0.637197 0.670458 0.659454 Cl\n0.846967 0.747468 0.159015 Cl\n0.312048 0.747468 0.159015 Cl\n0.153033 0.252532 0.840985 Cl\n0.687952 0.252532 0.840985 Cl\n0.205953 0.006860 0.411905 O\n0.794047 0.993140 0.588095 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ru",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O-Ru",
"density": 1.9661080677441338,
"density_atomic": 0.03301608683717796,
"volume": 484.61224611219234,
"volume_molar": 18.240019750671156,
"formula_full": "Ru2 N4 Cl8 O2",
"formula_reduced": "RuN2Cl4O",
"formula_anonymous": "ABC2D4",
"energy": -75.89500921,
"energy_per_atom": -4.743438075625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.60900921,
"band_gap": 0.1548,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.369000Z",
"spacegroup": 12
}
]
}