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"updated_at": "2021-11-28T01:39:42.478000Z",
"spacegroup": 216
},
{
"id": "mp-1245399",
"created_at": "2022-09-04T14:48:28.427238Z",
"structure_string": "Zn6 Cr2 N6\n1.0\n6.581542 -0.001518 0.000000\n-3.291937 5.702194 0.000000\n0.000000 0.000000 4.518023\nZn Cr N\n6 2 6\ndirect\n0.818207 0.636192 0.250000 Zn\n0.818063 0.181837 0.250000 Zn\n0.363779 0.181949 0.250000 Zn\n0.181793 0.363808 0.750000 Zn\n0.181937 0.818163 0.750000 Zn\n0.636221 0.818051 0.750000 Zn\n0.666884 0.333609 0.750000 Cr\n0.333116 0.666391 0.250000 Cr\n0.822218 0.644372 0.750000 N\n0.821946 0.177867 0.750000 N\n0.355761 0.177967 0.750000 N\n0.177782 0.355628 0.250000 N\n0.178054 0.822133 0.250000 N\n0.644239 0.822033 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"N"
],
"chemical_system": "Cr-N-Zn",
"density": 5.68566012713673,
"density_atomic": 0.08257865103361114,
"volume": 169.53534387842836,
"volume_molar": 7.292612175935001,
"formula_full": "Zn6 Cr2 N6",
"formula_reduced": "Zn3CrN3",
"formula_anonymous": "AB3C3",
"energy": -78.53971253,
"energy_per_atom": -5.609979466428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.37371253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.976593,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:42.454000Z",
"spacegroup": 194
},
{
"id": "mp-1104302",
"created_at": "2022-09-04T14:48:23.381974Z",
"structure_string": "La2 Ni8 Sn4\n1.0\n-3.885126 -3.885126 3.963221\n-3.885126 3.885126 -3.963221\n3.885126 -3.885126 -3.963221\nLa Ni Sn\n2 8 4\ndirect\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.723805 0.447827 0.448054 Ni\n0.276195 0.724249 0.724022 Ni\n0.999773 0.947827 0.224022 Ni\n0.000227 0.224249 0.948054 Ni\n0.000227 0.275978 0.552173 Ni\n0.999773 0.551946 0.275751 Ni\n0.276195 0.051946 0.052173 Ni\n0.723805 0.775978 0.775751 Ni\n0.318429 0.409214 0.409214 Sn\n0.681571 0.090786 0.090786 Sn\n0.000000 0.909214 0.590786 Sn\n0.000000 0.590786 0.909214 Sn\n",
"nsites": 14,
"nelements": 3,
"elements": [
"La",
"Ni",
"Sn"
],
"chemical_system": "La-Ni-Sn",
"density": 8.481491240043876,
"density_atomic": 0.05850723006980119,
"volume": 239.28666565307407,
"volume_molar": 10.292985589670497,
"formula_full": "La2 Ni8 Sn4",
"formula_reduced": "La(Ni2Sn)2",
"formula_anonymous": "AB2C4",
"energy": -78.21671961,
"energy_per_atom": -5.586908543571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.21671961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:42.415000Z",
"spacegroup": 140
}
]
}