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{
"id": "mp-1520453",
"created_at": "2022-09-04T14:47:17.070687Z",
"structure_string": "Ba1 Sr1 Tb1 Ce1 O6\n1.0\n-0.000000 -4.417609 -4.417609\n4.417609 -0.000000 -4.417609\n4.417609 -4.417609 -0.000000\nBa Sr Tb Ce O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 0.000000 Ce\n0.751851 0.248149 0.248149 O\n0.248149 0.751851 0.751851 O\n0.751851 0.248149 0.751851 O\n0.248149 0.751851 0.248149 O\n0.751851 0.751851 0.248149 O\n0.248149 0.248149 0.751851 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Tb",
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"O"
],
"chemical_system": "Ba-Ce-O-Sr-Tb",
"density": 5.9708792252938085,
"density_atomic": 0.05799735423831829,
"volume": 172.42165838994595,
"volume_molar": 10.383474968968894,
"formula_full": "Ba1 Sr1 Tb1 Ce1 O6",
"formula_reduced": "BaSrTbCeO6",
"formula_anonymous": "ABCDE6",
"energy": -76.71113817,
"energy_per_atom": -7.671113817,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.58913817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.413000Z",
"spacegroup": 216
},
{
"id": "mp-1518311",
"created_at": "2022-09-04T14:47:14.973024Z",
"structure_string": "Ba1 Pr1 Dy1 Sn1 O6\n1.0\n0.000000 -4.248419 -4.248419\n4.248419 -0.000000 -4.248419\n4.248419 -4.248419 0.000000\nBa Pr Dy Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Pr\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sn\n0.741995 0.258005 0.258005 O\n0.258005 0.741995 0.741995 O\n0.741995 0.258005 0.741995 O\n0.258005 0.741995 0.258005 O\n0.741995 0.741995 0.258005 O\n0.258005 0.258005 0.741995 O\n",
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"nelements": 5,
"elements": [
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"Dy",
"Sn",
"O"
],
"chemical_system": "Ba-Dy-O-Pr-Sn",
"density": 7.0969331117512535,
"density_atomic": 0.06520606266275274,
"volume": 153.35997285590193,
"volume_molar": 9.235553434880206,
"formula_full": "Ba1 Pr1 Dy1 Sn1 O6",
"formula_reduced": "BaPrDySnO6",
"formula_anonymous": "ABCDE6",
"energy": -75.54207832,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.475000Z",
"spacegroup": 216
}
]
}