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"structure_string": "V4 Fe1 Ni1 O12\n1.0\n-1.490928 1.345340 5.561168\n6.826661 -0.005795 -0.083113\n-0.732832 6.801892 0.086405\nV Fe Ni O\n4 1 1 12\ndirect\n0.752406 0.205610 0.615175 V\n0.747946 0.615124 0.205698 V\n0.257096 0.387786 0.792138 V\n0.242972 0.792293 0.387568 V\n0.749345 0.086120 0.086318 Fe\n0.250280 0.914532 0.914267 Ni\n0.628994 0.038470 0.808932 O\n0.869984 0.809733 0.038990 O\n0.769669 0.085193 0.386659 O\n0.730910 0.385822 0.085526 O\n0.148064 0.195690 0.960290 O\n0.352442 0.960782 0.195841 O\n0.554047 0.372042 0.646608 O\n0.946035 0.646709 0.371446 O\n0.050498 0.346675 0.631239 O\n0.450127 0.630904 0.346586 O\n0.274293 0.619053 0.908082 O\n0.224894 0.907464 0.618638 O\n",
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],
"chemical_system": "Fe-Ni-O-V",
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"volume_molar": 8.586605831857737,
"formula_full": "V4 Fe1 Ni1 O12",
"formula_reduced": "V4FeNiO12",
"formula_anonymous": "ABC4D12",
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"is_stable": null,
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"energy_uncorrected": -128.80191809,
"band_gap": 1.9117,
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"updated_at": "2021-11-28T01:36:15.159000Z",
"spacegroup": 5
},
{
"id": "mp-625242",
"created_at": "2022-09-04T14:42:37.484741Z",
"structure_string": "Fe4 H4 O8\n1.0\n3.083707 0.000000 0.000000\n0.000000 4.606278 0.000000\n0.000000 0.000000 10.152653\nFe H O\n4 4 8\ndirect\n0.250000 0.522235 0.626404 Fe\n0.250000 0.977765 0.126404 Fe\n0.750000 0.477765 0.373596 Fe\n0.750000 0.022235 0.873596 Fe\n0.250000 0.021791 0.373901 H\n0.250000 0.478209 0.873901 H\n0.750000 0.978209 0.626099 H\n0.750000 0.521791 0.126099 H\n0.250000 0.192058 0.308397 O\n0.250000 0.307942 0.808397 O\n0.750000 0.807942 0.691603 O\n0.750000 0.692058 0.191603 O\n0.250000 0.707529 0.441611 O\n0.250000 0.792471 0.941611 O\n0.750000 0.292471 0.558389 O\n0.750000 0.207529 0.058389 O\n",
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"elements": [
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"H",
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],
"chemical_system": "Fe-H-O",
"density": 4.092344923460945,
"density_atomic": 0.11094741499072461,
"volume": 144.21246318661528,
"volume_molar": 5.427923454100721,
"formula_full": "Fe4 H4 O8",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:02.629000Z",
"spacegroup": 62
},
{
"id": "mp-979258",
"created_at": "2022-09-04T14:42:37.647228Z",
"structure_string": "Tm2 Cd1 Hg1\n1.0\n0.000000 3.692220 3.692220\n3.692220 0.000000 3.692220\n3.692220 3.692220 0.000000\nTm Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Tm",
"density": 10.736191710783626,
"density_atomic": 0.039734457170243175,
"volume": 100.66829358865807,
"volume_molar": 15.15596585149761,
"formula_full": "Tm2 Cd1 Hg1",
"formula_reduced": "Tm2CdHg",
"formula_anonymous": "ABC2",
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"total_magnetization": 0.0003136,
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"updated_at": "2021-11-28T01:36:09.522000Z",
"spacegroup": 225
}
]
}