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"spacegroup": 47
},
{
"id": "mp-1246553",
"created_at": "2022-09-04T14:40:12.397069Z",
"structure_string": "Li4 Ge4 N4\n1.0\n5.533632 0.000000 0.000000\n0.000000 4.132263 0.000000\n0.000000 0.000000 6.923763\nLi Ge N\n4 4 4\ndirect\n0.577313 0.250000 0.912287 Li\n0.077313 0.250000 0.587713 Li\n0.422687 0.750000 0.087713 Li\n0.922687 0.750000 0.412287 Li\n0.542465 0.250000 0.392140 Ge\n0.042465 0.250000 0.107860 Ge\n0.457535 0.750000 0.607860 Ge\n0.957535 0.750000 0.892140 Ge\n0.876904 0.250000 0.344716 N\n0.376904 0.250000 0.155284 N\n0.123096 0.750000 0.655284 N\n0.623096 0.750000 0.844716 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ge",
"N"
],
"chemical_system": "Ge-Li-N",
"density": 3.926335807218691,
"density_atomic": 0.07579504649736142,
"volume": 158.32169191185528,
"volume_molar": 7.9452959504545495,
"formula_full": "Li4 Ge4 N4",
"formula_reduced": "LiGeN",
"formula_anonymous": "ABC",
"energy": -64.417222,
"energy_per_atom": -5.368101833333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -62.97322200000001,
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"updated_at": "2021-11-28T01:34:48.011000Z",
"spacegroup": 62
},
{
"id": "mp-862843",
"created_at": "2022-09-04T14:40:15.064216Z",
"structure_string": "Pa1 Zn1 Ru2\n1.0\n0.000000 3.246497 3.246497\n3.246497 0.000000 3.246497\n3.246497 3.246497 0.000000\nPa Zn Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"elements": [
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],
"chemical_system": "Pa-Ru-Zn",
"density": 12.097989079882888,
"density_atomic": 0.05845006224591089,
"volume": 68.43448657370482,
"volume_molar": 10.303052774629514,
"formula_full": "Pa1 Zn1 Ru2",
"formula_reduced": "PaZnRu2",
"formula_anonymous": "ABC2",
"energy": -30.88548367,
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"updated_at": "2021-11-28T01:34:55.884000Z",
"spacegroup": 225
}
]
}