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{
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{
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{
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{
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{
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{
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"id": "mp-1208596",
"created_at": "2022-09-04T14:46:20.261900Z",
"structure_string": "Sm2 Be26\n1.0\n0.000000 5.124834 5.124834\n5.124834 0.000000 5.124834\n5.124834 5.124834 0.000000\nSm Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n0.289457 0.063413 0.936587 Be\n0.710543 0.936587 0.063413 Be\n0.063413 0.289457 0.710543 Be\n0.936587 0.710543 0.289457 Be\n0.936587 0.289457 0.063413 Be\n0.210543 0.436587 0.789457 Be\n0.063413 0.710543 0.936587 Be\n0.789457 0.563413 0.210543 Be\n0.710543 0.063413 0.289457 Be\n0.436587 0.210543 0.563413 Be\n0.289457 0.936587 0.710543 Be\n0.563413 0.789457 0.436587 Be\n0.063413 0.936587 0.289457 Be\n0.563413 0.210543 0.789457 Be\n0.936587 0.063413 0.710543 Be\n0.436587 0.789457 0.210543 Be\n0.710543 0.289457 0.936587 Be\n0.210543 0.563413 0.436587 Be\n0.289457 0.710543 0.063413 Be\n0.789457 0.436587 0.563413 Be\n0.789457 0.210543 0.436587 Be\n0.210543 0.789457 0.563413 Be\n0.563413 0.436587 0.210543 Be\n0.436587 0.563413 0.789457 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Sm",
"Be"
],
"chemical_system": "Be-Sm",
"density": 3.3003750308355757,
"density_atomic": 0.10401324073835562,
"volume": 269.1964965348378,
"volume_molar": 5.789782836541591,
"formula_full": "Sm2 Be26",
"formula_reduced": "SmBe13",
"formula_anonymous": "AB13",
"energy": -111.53771367,
"energy_per_atom": -3.9834897739285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.53771367,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.361000Z",
"spacegroup": 226
}
]
}