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{
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{
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"structure_string": "Ca1 Eu1 Mg1 Sb1 O6\n1.0\n-0.000000 -4.000022 -4.000022\n4.000022 0.000000 -4.000022\n4.000022 -4.000022 -0.000000\nCa Eu Mg Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n0.746807 0.253193 0.253193 O\n0.253193 0.746807 0.746807 O\n0.746807 0.253193 0.746807 O\n0.253193 0.746807 0.253193 O\n0.746807 0.746807 0.253193 O\n0.253193 0.253193 0.746807 O\n",
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{
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"id": "mp-1516671",
"created_at": "2022-09-04T14:42:59.540050Z",
"structure_string": "Ba4 Sm4 Eu4 Sb4 O24\n1.0\n8.519200 0.000000 0.000000\n0.000000 8.522160 0.000000\n0.000000 0.000000 8.507854\nBa Sm Eu Sb O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.252776 0.250647 0.250614 Sm\n0.747224 0.749353 0.250614 Sm\n0.747224 0.250647 0.749386 Sm\n0.252776 0.749353 0.749386 Sm\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 -0.000000 Eu\n0.500000 0.000000 -0.000000 Eu\n0.746559 0.749001 0.749994 Sb\n0.253441 0.250999 0.749994 Sb\n0.253441 0.749001 0.250006 Sb\n0.746559 0.250999 0.250006 Sb\n0.982048 0.224421 0.272980 O\n0.017952 0.775579 0.272980 O\n0.017952 0.224421 0.727020 O\n0.982048 0.775579 0.727020 O\n0.285383 0.982764 0.216694 O\n0.285383 0.017236 0.783306 O\n0.714617 0.017236 0.216694 O\n0.714617 0.982764 0.783306 O\n0.227319 0.276312 0.984074 O\n0.772681 0.276312 0.015926 O\n0.227319 0.723688 0.015926 O\n0.772681 0.723688 0.984074 O\n0.516219 0.289757 0.216124 O\n0.483781 0.710243 0.216124 O\n0.483781 0.289757 0.783876 O\n0.516219 0.710243 0.783876 O\n0.219274 0.517532 0.289535 O\n0.219274 0.482468 0.710465 O\n0.780726 0.482468 0.289535 O\n0.780726 0.517532 0.710465 O\n0.289023 0.214892 0.518203 O\n0.710977 0.214892 0.481797 O\n0.289023 0.785108 0.481797 O\n0.710977 0.785108 0.518203 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sm",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-O-Sb-Sm",
"density": 7.069279469274394,
"density_atomic": 0.06475770739797047,
"volume": 617.687092505897,
"volume_molar": 9.299496541764134,
"formula_full": "Ba4 Sm4 Eu4 Sb4 O24",
"formula_reduced": "BaSmEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -323.0876812,
"energy_per_atom": -8.07719203,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.5996812,
"band_gap": 0.0652999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.308000Z",
"spacegroup": 16
}
]
}