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],
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"density_atomic": 0.0605395240507625,
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"volume_molar": 9.947453096840379,
"formula_full": "Al2 Tl2 O4",
"formula_reduced": "AlTlO2",
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"energy_uncorrected": -48.71344181,
"band_gap": 2.197,
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"total_magnetization": 8.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.968000Z",
"spacegroup": 227
},
{
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"created_at": "2022-09-04T14:42:26.206031Z",
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"formula_full": "Ag4 Ru4 O12",
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{
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"structure_string": "Dy4 Ru4 O14\n1.0\n0.000000 5.120945 5.120945\n5.120945 0.000000 5.120945\n5.120945 5.120945 0.000000\nDy Ru O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 Dy\n0.125000 0.625000 0.125000 Dy\n0.625000 0.125000 0.125000 Dy\n0.125000 0.125000 0.125000 Dy\n0.625000 0.625000 0.125000 Ru\n0.625000 0.125000 0.625000 Ru\n0.125000 0.625000 0.625000 Ru\n0.625000 0.625000 0.625000 Ru\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.287334 0.712666 0.287334 O\n0.537334 0.962666 0.537334 O\n0.287334 0.287334 0.712666 O\n0.712666 0.287334 0.287334 O\n0.287334 0.712666 0.712666 O\n0.712666 0.712666 0.287334 O\n0.712666 0.287334 0.712666 O\n0.962666 0.537334 0.537334 O\n0.537334 0.962666 0.962666 O\n0.962666 0.537334 0.962666 O\n0.537334 0.537334 0.962666 O\n0.962666 0.962666 0.537334 O\n",
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"density_atomic": 0.08191102316502685,
"volume": 268.58411908341577,
"volume_molar": 7.352051686458782,
"formula_full": "Dy4 Ru4 O14",
"formula_reduced": "Dy2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy": -181.95066336,
"energy_per_atom": -8.270484698181818,
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"updated_at": "2021-11-28T01:35:44.954000Z",
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]
}