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"structure_string": "Mn2 Fe2 P4 O16\n1.0\n4.811568 0.000000 0.000000\n0.000000 5.875003 0.000000\n0.000000 0.000000 9.780803\nMn Fe P O\n2 2 4 16\ndirect\n0.576993 0.000000 0.531529 Mn\n0.076992 0.500000 0.468471 Mn\n0.940272 0.000000 0.024215 Fe\n0.440272 0.500000 0.975784 Fe\n0.607378 0.500000 0.654963 P\n0.107377 0.000000 0.345036 P\n0.890656 0.500000 0.159437 P\n0.390656 0.000000 0.840563 P\n0.242173 0.794311 0.911981 O\n0.242173 0.205688 0.911981 O\n0.742173 0.294311 0.088019 O\n0.742173 0.705688 0.088019 O\n0.202944 0.500000 0.132699 O\n0.156177 0.000000 0.191192 O\n0.838685 0.500000 0.315093 O\n0.755476 0.294221 0.583071 O\n0.255475 0.794220 0.416928 O\n0.255475 0.205779 0.416928 O\n0.702944 0.000000 0.867301 O\n0.755476 0.705779 0.583071 O\n0.291993 0.500000 0.627821 O\n0.338685 0.000000 0.684907 O\n0.791993 0.000000 0.372179 O\n0.656177 0.500000 0.808807 O\n",
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"created_at": "2022-09-04T14:36:02.681405Z",
"updated_at": "2022-09-04T14:36:02.681428Z",
"structure_string": "Dy4 Cr4 B16\n1.0\n3.463280 0.000000 0.000000\n0.000000 5.917003 -0.000000\n0.000000 0.000000 11.434434\nDy Cr B\n4 4 16\ndirect\n0.000000 0.124088 0.849285 Dy\n0.000000 0.875912 0.150715 Dy\n0.000000 0.375912 0.349285 Dy\n0.000000 0.624087 0.650714 Dy\n0.000000 0.121543 0.579115 Cr\n0.000000 0.878457 0.420884 Cr\n0.000000 0.378457 0.079116 Cr\n0.000000 0.621542 0.920884 Cr\n0.500000 0.525214 0.191557 B\n0.500000 0.474786 0.808443 B\n0.500000 0.886767 0.546780 B\n0.500000 0.113233 0.453220 B\n0.500000 0.613232 0.046780 B\n0.500000 0.386767 0.953220 B\n0.500000 0.862534 0.967494 B\n0.500000 0.780088 0.816093 B\n0.500000 0.637465 0.467494 B\n0.500000 0.362534 0.532505 B\n0.500000 0.025214 0.308443 B\n0.500000 0.219911 0.183907 B\n0.500000 0.719911 0.316093 B\n0.500000 0.280089 0.683907 B\n0.500000 0.137466 0.032505 B\n0.500000 0.974785 0.691556 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"Cr",
"B"
],
"chemical_system": "B-Cr-Dy",
"density": 7.306123600014014,
"density_atomic": 0.1024252836352138,
"volume": 234.3171446366276,
"volume_molar": 5.879545114512711,
"formula_full": "Dy4 Cr4 B16",
"formula_reduced": "DyCrB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.343575705555557,
"spacegroup": 55
}
]
}