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"structure_string": "Co6 Ni2 O16\n1.0\n1.627040 -2.476990 -4.822613\n1.626796 -5.421531 -0.009621\n-10.185856 -0.083238 -0.049405\nCo Ni O\n6 2 16\ndirect\n0.999768 0.500116 0.499994 Co\n0.499795 0.000136 0.499984 Co\n0.500232 0.499844 0.000011 Co\n0.500212 0.999882 0.000011 Co\n0.000218 0.499860 0.000021 Co\n0.999757 0.000190 0.499998 Co\n0.000347 0.999728 0.000006 Ni\n0.499670 0.500203 0.499965 Ni\n0.133679 0.134029 0.403008 O\n0.634109 0.633771 0.903041 O\n0.366334 0.365973 0.097001 O\n0.865902 0.866231 0.596967 O\n0.632649 0.633012 0.402283 O\n0.133071 0.132737 0.902295 O\n0.135002 0.633613 0.402455 O\n0.635425 0.133336 0.902480 O\n0.633248 0.135383 0.402470 O\n0.133689 0.635063 0.902473 O\n0.866754 0.364615 0.097531 O\n0.366314 0.864936 0.597528 O\n0.364979 0.866398 0.097538 O\n0.864563 0.366671 0.597515 O\n0.867353 0.867000 0.097718 O\n0.366930 0.367273 0.597707 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O",
"density": 4.5218461994843935,
"density_atomic": 0.08989957453866593,
"volume": 266.96455598549653,
"volume_molar": 6.698742225314836,
"formula_full": "Co6 Ni2 O16",
"formula_reduced": "Co3NiO8",
"formula_anonymous": "AB3C8",
"energy": -156.82656891,
"energy_per_atom": -6.53444037125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.92456891,
"band_gap": 0.9434,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.024000Z",
"spacegroup": 166
},
{
"id": "mp-1183837",
"created_at": "2022-09-04T14:43:12.549275Z",
"structure_string": "Co6 Ni2\n1.0\n2.492790 -4.317638 0.000000\n2.492790 4.317638 0.000000\n0.000000 0.000000 4.027746\nCo Ni\n6 2\ndirect\n0.166145 0.332290 0.250000 Co\n0.833855 0.166145 0.750000 Co\n0.332290 0.166145 0.750000 Co\n0.833855 0.667710 0.750000 Co\n0.166145 0.833855 0.250000 Co\n0.667710 0.833855 0.250000 Co\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"Ni"
],
"chemical_system": "Co-Ni",
"density": 9.020551201437922,
"density_atomic": 0.09227116312890453,
"volume": 86.70097708450744,
"volume_molar": 6.5265686004054775,
"formula_full": "Co6 Ni2",
"formula_reduced": "Co3Ni",
"formula_anonymous": "AB3",
"energy": -54.41648737,
"energy_per_atom": -6.80206092125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.41648737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.2042158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.509000Z",
"spacegroup": 194
}
]
}