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"structure_string": "Ba4 Eu4 Y4 Sn4 O24\n1.0\n8.522925 0.000000 0.000000\n0.000000 8.447077 0.000000\n0.000000 0.000000 8.587770\nBa Eu Y Sn 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 0.500000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.500000 -0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.000000 0.500000 0.000000 Eu\n0.000000 -0.000000 0.500000 Eu\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.250000 Y\n0.750000 0.250000 0.750000 Y\n0.250000 0.750000 0.750000 Y\n0.750000 0.750000 0.750000 Sn\n0.250000 0.250000 0.750000 Sn\n0.250000 0.750000 0.250000 Sn\n0.750000 0.250000 0.250000 Sn\n0.990976 0.199399 0.297932 O\n0.009024 0.800601 0.297932 O\n0.009024 0.199399 0.702068 O\n0.990976 0.800601 0.702068 O\n0.282041 0.989905 0.218741 O\n0.282041 0.010095 0.781259 O\n0.717959 0.010095 0.218741 O\n0.717959 0.989905 0.781259 O\n0.198438 0.295525 0.991285 O\n0.801562 0.295525 0.008715 O\n0.198438 0.704475 0.008715 O\n0.801562 0.704475 0.991285 O\n0.509024 0.300601 0.202068 O\n0.490976 0.699399 0.202068 O\n0.490976 0.300601 0.797932 O\n0.509024 0.699399 0.797932 O\n0.217959 0.510095 0.281259 O\n0.217959 0.489905 0.718741 O\n0.782041 0.489905 0.281259 O\n0.782041 0.510095 0.718741 O\n0.301562 0.204475 0.508715 O\n0.698438 0.204475 0.491285 O\n0.301562 0.795525 0.491285 O\n0.698438 0.795525 0.508715 O\n",
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"nelements": 5,
"elements": [
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],
"chemical_system": "Ba-Eu-O-Sn-Y",
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"density_atomic": 0.06469704828108647,
"volume": 618.2662279461921,
"volume_molar": 9.308215629615537,
"formula_full": "Ba4 Eu4 Y4 Sn4 O24",
"formula_reduced": "BaEuYSnO6",
"formula_anonymous": "ABCDE6",
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"energy_per_atom": -8.24196090875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.19043635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9396346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.844000Z",
"spacegroup": 48
},
{
"id": "mp-1521401",
"created_at": "2022-09-04T14:46:23.922588Z",
"structure_string": "Ca1 Sm1 Mn1 Sn1 O6\n1.0\n0.000000 -4.112062 -4.112062\n4.112062 0.000000 -4.112062\n4.112062 -4.112062 0.000000\nCa Sm Mn Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sm\n-0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sn\n0.771126 0.228874 0.228874 O\n0.228874 0.771126 0.771126 O\n0.771126 0.228874 0.771126 O\n0.228874 0.771126 0.228874 O\n0.771126 0.771126 0.228874 O\n0.228874 0.228874 0.771126 O\n",
"nsites": 10,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "Ca-Mn-O-Sm-Sn",
"density": 5.493837404392519,
"density_atomic": 0.07191029028120849,
"volume": 139.06215592920765,
"volume_molar": 8.374518773947571,
"formula_full": "Ca1 Sm1 Mn1 Sn1 O6",
"formula_reduced": "CaSmMnSnO6",
"formula_anonymous": "ABCDE6",
"energy": -72.17133179000001,
"energy_per_atom": -7.217133179000001,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.38133179,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0000745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.757000Z",
"spacegroup": 216
}
]
}