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{
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{
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{
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"spacegroup": 16
},
{
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"structure_string": "Ba1 La1 Cu1 Ru1 O6\n1.0\n-2.757241 2.757241 4.301813\n2.757241 -2.757241 4.301813\n2.757241 2.757241 -4.301813\nBa La Cu Ru O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 La\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Ru\n0.482105 0.982105 0.500000 O\n0.471990 0.478065 0.396929 O\n0.521935 0.918864 0.993926 O\n0.017895 0.517895 0.500000 O\n0.924939 0.528010 0.006074 O\n0.081136 0.075061 0.603071 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ba-Cu-La-O-Ru",
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"density_atomic": 0.07644322932064762,
"volume": 130.81603287655668,
"volume_molar": 7.877925636474121,
"formula_full": "Ba1 La1 Cu1 Ru1 O6",
"formula_reduced": "BaLaCuRuO6",
"formula_anonymous": "ABCDE6",
"energy": -72.56987225,
"energy_per_atom": -7.2569872250000005,
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"updated_at": "2021-11-28T01:38:42.955000Z",
"spacegroup": 82
},
{
"id": "mp-1521324",
"created_at": "2022-09-04T14:48:11.485785Z",
"structure_string": "Sr1 Hf1 Zr1 Sn1 O6\n1.0\n0.000000 -4.169559 -4.169559\n4.169559 -0.000000 -4.169559\n4.169559 -4.169559 0.000000\nSr Hf Zr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 Sn\n0.751811 0.248189 0.248189 O\n0.248189 0.751811 0.751811 O\n0.751811 0.248189 0.751811 O\n0.248189 0.751811 0.248189 O\n0.751811 0.751811 0.248189 O\n0.248189 0.248189 0.751811 O\n",
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"elements": [
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],
"chemical_system": "Hf-O-Sn-Sr-Zr",
"density": 6.552023294012093,
"density_atomic": 0.06897625858763692,
"volume": 144.97741983634305,
"volume_molar": 8.73074429276074,
"formula_full": "Sr1 Hf1 Zr1 Sn1 O6",
"formula_reduced": "SrHfZrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -86.19554483,
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"spacegroup": 216
}
]
}