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"updated_at": "2021-11-28T01:34:31.156000Z",
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},
{
"id": "mp-1275601",
"created_at": "2022-09-04T14:46:53.661280Z",
"structure_string": "Co10 Cu2 O16\n1.0\n-0.000576 4.169465 4.090997\n8.407189 -4.209411 4.130653\n4.192505 0.008397 -4.100015\nCo Cu O\n10 2 16\ndirect\n0.501513 0.503120 0.996912 Co\n0.001308 0.995348 0.004934 Co\n0.623483 0.121897 0.253073 Co\n0.123682 0.629662 0.245056 Co\n0.562498 0.812506 0.624999 Co\n0.562494 0.812498 0.125004 Co\n0.062502 0.312513 0.124989 Co\n0.062496 0.812493 0.625010 Co\n0.562504 0.312508 0.624990 Co\n0.062500 0.312516 0.624985 Co\n0.312707 0.061796 0.625606 Cu\n0.812385 0.563065 0.624531 Cu\n0.690741 0.920955 0.390663 O\n0.190833 0.428523 0.375555 O\n0.434269 0.704058 0.859317 O\n0.934172 0.196496 0.874419 O\n0.921157 0.700373 0.376943 O\n0.424558 0.191711 0.381835 O\n0.211549 0.923957 0.416474 O\n0.699791 0.436887 0.398055 O\n0.203831 0.924606 0.873083 O\n0.700432 0.433278 0.868179 O\n0.661104 0.923224 0.864910 O\n0.167792 0.435384 0.868680 O\n0.957215 0.189643 0.381304 O\n0.463857 0.701795 0.385064 O\n0.425179 0.188131 0.851899 O\n0.913448 0.701057 0.833531 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Cu",
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],
"chemical_system": "Co-Cu-O",
"density": 5.5988857045166185,
"density_atomic": 0.09708657416000482,
"volume": 288.40238974602426,
"volume_molar": 6.202856380610496,
"formula_full": "Co10 Cu2 O16",
"formula_reduced": "Co5CuO8",
"formula_anonymous": "AB5C8",
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -164.88069596,
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"updated_at": "2021-11-28T01:37:40.598000Z",
"spacegroup": 12
},
{
"id": "mp-1247509",
"created_at": "2022-09-04T14:47:16.338921Z",
"structure_string": "Co10 Cu2 N8\n1.0\n8.502740 0.000000 0.000000\n0.000000 5.613491 0.000000\n0.000000 0.000000 4.166625\nCo Cu N\n10 2 8\ndirect\n0.584851 0.478498 0.267760 Co\n0.915149 0.478498 0.267760 Co\n0.584852 0.021500 0.267759 Co\n0.915148 0.021500 0.267759 Co\n0.415149 0.521502 0.732240 Co\n0.084851 0.521502 0.732240 Co\n0.415148 0.978500 0.732241 Co\n0.084852 0.978500 0.732241 Co\n0.750000 0.750000 0.708814 Co\n0.250000 0.250000 0.291186 Co\n0.750000 0.249998 0.719060 Cu\n0.250000 0.750002 0.280940 Cu\n0.750000 0.984036 0.008758 N\n0.750000 0.515960 0.008757 N\n0.250000 0.015964 0.991242 N\n0.250000 0.484040 0.991243 N\n0.547363 0.749998 0.514331 N\n0.952637 0.749998 0.514331 N\n0.452637 0.250002 0.485669 N\n0.047363 0.250002 0.485669 N\n",
"nsites": 20,
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"elements": [
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"N"
],
"chemical_system": "Co-Cu-N",
"density": 6.917568950553867,
"density_atomic": 0.10056657287004864,
"volume": 198.87323818664726,
"volume_molar": 5.988213168784985,
"formula_full": "Co10 Cu2 N8",
"formula_reduced": "Co5CuN4",
"formula_anonymous": "AB4C5",
"energy": -143.49424478,
"energy_per_atom": -7.174712239,
"energy_above_hull": null,
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"total_magnetization": 0.0039429,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.293000Z",
"spacegroup": 59
}
]
}