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},
{
"id": "mp-505513",
"created_at": "2022-09-04T14:39:05.489650Z",
"structure_string": "Nd4 Re16 Si8\n1.0\n4.157414 0.000000 0.000000\n0.000000 7.375711 0.000000\n0.000000 0.000000 15.482598\nNd Re Si\n4 16 8\ndirect\n0.000000 0.576635 0.118470 Nd\n0.000000 0.423365 0.881530 Nd\n0.500000 0.076635 0.381530 Nd\n0.500000 0.923365 0.618470 Nd\n0.000000 0.137911 0.051993 Re\n0.000000 0.862089 0.948007 Re\n0.500000 0.637911 0.448007 Re\n0.500000 0.362089 0.551993 Re\n0.000000 0.730491 0.321387 Re\n0.000000 0.269509 0.678613 Re\n0.500000 0.230491 0.178613 Re\n0.500000 0.769509 0.821387 Re\n0.000000 0.430747 0.417884 Re\n0.000000 0.569253 0.582116 Re\n0.500000 0.930747 0.082116 Re\n0.500000 0.069253 0.917884 Re\n0.000000 0.986628 0.206101 Re\n0.000000 0.013372 0.793899 Re\n0.500000 0.486628 0.293899 Re\n0.500000 0.513372 0.706101 Re\n0.000000 0.827638 0.476119 Si\n0.000000 0.172362 0.523881 Si\n0.500000 0.327638 0.023881 Si\n0.500000 0.672362 0.976119 Si\n0.000000 0.288309 0.272863 Si\n0.000000 0.711691 0.727137 Si\n0.500000 0.788309 0.227137 Si\n0.500000 0.211691 0.772863 Si\n",
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],
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"density": 13.224541882292565,
"density_atomic": 0.058977590805352455,
"volume": 474.7565917436371,
"volume_molar": 10.210896507921557,
"formula_full": "Nd4 Re16 Si8",
"formula_reduced": "Nd(Re2Si)2",
"formula_anonymous": "AB2C4",
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{
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"structure_string": "Cr2 Fe2 O6\n1.0\n-2.550251 -4.417238 -0.000034\n5.100632 -0.000060 0.000032\n2.550323 1.472412 4.604974\nCr Fe O\n2 2 6\ndirect\n0.653332 0.346666 0.959995 Cr\n0.346667 0.653336 0.040005 Cr\n0.856804 0.143192 0.570436 Fe\n0.143196 0.856810 0.429564 Fe\n0.446892 0.254788 0.246383 O\n0.054291 0.553125 0.246390 O\n0.745186 0.945689 0.246408 O\n0.553108 0.745202 0.753616 O\n0.945710 0.446878 0.753610 O\n0.254813 0.054315 0.753593 O\n",
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],
"chemical_system": "Cr-Fe-O",
"density": 4.988307691155707,
"density_atomic": 0.09638227032818923,
"volume": 103.75352194910134,
"volume_molar": 6.248183135232378,
"formula_full": "Cr2 Fe2 O6",
"formula_reduced": "CrFeO3",
"formula_anonymous": "ABC3",
"energy": -86.20241222000001,
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"updated_at": "2021-11-28T01:34:29.221000Z",
"spacegroup": 148
}
]
}