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{
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"structure_string": "Sr1 Eu1 Y1 Fe1 O6\n1.0\n0.000000 -4.044078 -4.044078\n4.044078 0.000000 -4.044078\n4.044078 -4.044078 -0.000000\nSr Eu Y Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Y\n0.000000 -0.000000 0.000000 Fe\n0.766063 0.233937 0.233937 O\n0.233937 0.766063 0.766063 O\n0.766063 0.233937 0.766063 O\n0.233937 0.766063 0.233937 O\n0.766063 0.766063 0.233937 O\n0.233937 0.233937 0.766063 O\n",
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{
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{
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.499000Z",
"spacegroup": 216
},
{
"id": "mp-1518915",
"created_at": "2022-09-04T14:43:04.680504Z",
"structure_string": "Ba2 Ce2 Eu2 W2 O12\n1.0\n6.012272 -0.010465 -0.015770\n-0.014736 6.094314 0.004705\n-0.027829 0.001375 8.515669\nBa Ce Eu W O\n2 2 2 2 12\ndirect\n0.509475 0.531448 0.250849 Ba\n0.490525 0.468552 0.749151 Ba\n0.000000 0.500000 -0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.990701 0.040667 0.251431 Eu\n0.009299 0.959333 0.748569 Eu\n0.500000 -0.000000 -0.000000 W\n0.000000 0.500000 0.500000 W\n0.210772 0.199027 0.954144 O\n0.269703 0.717455 0.538935 O\n0.789228 0.800973 0.045856 O\n0.730297 0.282545 0.461065 O\n0.292511 0.734126 0.959055 O\n0.189730 0.214344 0.544048 O\n0.707489 0.265874 0.040945 O\n0.810270 0.785656 0.455952 O\n0.403543 0.993664 0.235283 O\n0.062605 0.464980 0.263626 O\n0.596457 0.006336 0.764717 O\n0.937395 0.535020 0.736374 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ce",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Ce-Eu-O-W",
"density": 7.549145210949739,
"density_atomic": 0.06409931356954456,
"volume": 312.0158217966094,
"volume_molar": 9.39501599103129,
"formula_full": "Ba2 Ce2 Eu2 W2 O12",
"formula_reduced": "BaCeEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -183.30503532,
"energy_per_atom": -9.165251766,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.18503532,
"band_gap": 0.0570000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9279456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.789000Z",
"spacegroup": 2
}
]
}