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"structure_string": "Be52 Mo4\n1.0\n-6.803807 -6.803807 0.000000\n-6.803807 0.000000 -6.803807\n0.000000 -6.803807 -6.803807\nBe Mo\n52 4\ndirect\n0.497492 0.497492 0.265721 Be\n0.739296 0.265721 0.497492 Be\n0.265721 0.739296 0.497492 Be\n0.497492 0.265721 0.497492 Be\n0.010704 0.252508 0.484279 Be\n0.252508 0.252508 0.484279 Be\n0.497492 0.497492 0.739296 Be\n0.265721 0.497492 0.739296 Be\n0.252508 0.484279 0.252508 Be\n0.010704 0.484279 0.252508 Be\n0.739296 0.497492 0.265721 Be\n0.252508 0.010704 0.252508 Be\n0.484279 0.010704 0.252508 Be\n0.497492 0.739296 0.497492 Be\n0.484279 0.252508 0.010704 Be\n0.252508 0.252508 0.010704 Be\n0.265721 0.497492 0.497492 Be\n0.497492 0.265721 0.739296 Be\n0.739296 0.497492 0.497492 Be\n0.497492 0.739296 0.265721 Be\n0.252508 0.484279 0.010704 Be\n0.484279 0.252508 0.252508 Be\n0.252508 0.010704 0.484279 Be\n0.010704 0.252508 0.252508 Be\n0.500000 0.500000 0.500000 Be\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Be\n0.144782 0.750778 0.750778 Be\n0.353662 0.750778 0.750778 Be\n0.750778 0.353662 0.144782 Be\n0.750778 0.750778 0.144782 Be\n0.396338 0.999222 0.999222 Be\n0.605218 0.999222 0.999222 Be\n0.750778 0.144782 0.353662 Be\n0.750778 0.750778 0.353662 Be\n0.353662 0.144782 0.750778 Be\n0.999222 0.396338 0.605218 Be\n0.144782 0.353662 0.750778 Be\n0.999222 0.605218 0.396338 Be\n0.750778 0.144782 0.750778 Be\n0.396338 0.999222 0.605218 Be\n0.999222 0.999222 0.605218 Be\n0.144782 0.750778 0.353662 Be\n0.999222 0.605218 0.999222 Be\n0.396338 0.605218 0.999222 Be\n0.353662 0.750778 0.144782 Be\n0.999222 0.396338 0.999222 Be\n0.605218 0.396338 0.999222 Be\n0.750778 0.353662 0.750778 Be\n0.605218 0.999222 0.396338 Be\n0.999222 0.999222 0.396338 Be\n0.875000 0.875000 0.875000 Mo\n0.375000 0.875000 0.875000 Mo\n0.875000 0.375000 0.875000 Mo\n0.875000 0.875000 0.375000 Mo\n",
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"elements": [
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],
"chemical_system": "Be-Mo",
"density": 2.247000947888196,
"density_atomic": 0.08890006411873377,
"volume": 629.9208055149109,
"volume_molar": 6.774056711541745,
"formula_full": "Be52 Mo4",
"formula_reduced": "Be13Mo",
"formula_anonymous": "AB13",
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"energy_per_atom": -3.426244595714286,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.86969736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0109702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.704000Z",
"spacegroup": 227
},
{
"id": "mp-1980",
"created_at": "2022-09-04T14:47:20.140312Z",
"structure_string": "Yb2 Ni4\n1.0\n0.000000 3.493100 3.493100\n3.493100 0.000000 3.493100\n3.493100 3.493100 0.000000\nYb Ni\n2 4\ndirect\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Yb\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Ni-Yb",
"density": 11.314952390808461,
"density_atomic": 0.07038631009296824,
"volume": 85.24384915298201,
"volume_molar": 8.555840975391074,
"formula_full": "Yb2 Ni4",
"formula_reduced": "YbNi2",
"formula_anonymous": "AB2",
"energy": -28.87099954,
"energy_per_atom": -4.811833256666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.87099954,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0187727,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.511000Z",
"spacegroup": 227
}
]
}