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"total_magnetization": 0.0085091,
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"updated_at": "2021-11-28T01:37:06.299000Z",
"spacegroup": 229
},
{
"id": "mp-1207934",
"created_at": "2022-09-04T14:45:38.233151Z",
"structure_string": "U4 Ga12 Ni1\n1.0\n-4.285905 4.285905 4.285905\n4.285905 -4.285905 4.285905\n4.285905 4.285905 -4.285905\nU Ga Ni\n4 12 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.750000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.750000 0.500000 0.250000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.285211 0.285211 Ga\n0.000000 0.714789 0.714789 Ga\n0.285211 0.000000 0.285211 Ga\n0.714789 0.000000 0.714789 Ga\n0.285211 0.285211 0.000000 Ga\n0.714789 0.714789 0.000000 Ga\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-U",
"density": 9.741871918617674,
"density_atomic": 0.053983533618295276,
"volume": 314.9108415207303,
"volume_molar": 11.155514202869943,
"formula_full": "U4 Ga12 Ni1",
"formula_reduced": "U4Ga12Ni",
"formula_anonymous": "AB4C12",
"energy": -91.82087482,
"energy_per_atom": -5.401227930588235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.82087482,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0534596,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.030000Z",
"spacegroup": 229
},
{
"id": "mp-510548",
"created_at": "2022-09-04T14:45:39.147144Z",
"structure_string": "Y4 Ga12 Pt1\n1.0\n-4.332532 4.332532 4.332532\n4.332532 -4.332532 4.332532\n4.332532 4.332532 -4.332532\nY Ga Pt\n4 12 1\ndirect\n0.000000 0.000000 0.500000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.297068 0.297068 Ga\n0.702932 0.000000 0.702932 Ga\n0.297068 0.000000 0.297068 Ga\n0.702932 0.702932 0.000000 Ga\n0.297068 0.297068 0.000000 Ga\n0.000000 0.702932 0.702932 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.250000 0.500000 0.750000 Ga\n0.500000 0.750000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Y",
"density": 7.082070777601056,
"density_atomic": 0.05225930055567141,
"volume": 325.3009477593378,
"volume_molar": 11.523577039812583,
"formula_full": "Y4 Ga12 Pt1",
"formula_reduced": "Y4Ga12Pt",
"formula_anonymous": "AB4C12",
"energy": -79.05214854,
"energy_per_atom": -4.6501263847058825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.05214854,
"band_gap": 0.0,
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"total_magnetization": 0.0098303,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.830000Z",
"spacegroup": 229
}
]
}