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"created_at": "2022-09-04T14:38:49.154718Z",
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"structure_string": "Dy5 Mo2 O12\n1.0\n6.506056 -0.006386 1.902623\n3.980369 5.146403 1.902623\n0.000561 0.000275 7.530685\nDy Mo O\n5 2 12\ndirect\n0.305824 0.305824 0.360357 Dy\n0.694177 0.694176 0.639641 Dy\n0.314905 0.314905 0.822165 Dy\n0.685096 0.685094 0.177833 Dy\n-0.000000 0.000000 0.500000 Dy\n0.781852 0.218148 -0.000001 Mo\n0.218150 0.781850 -0.000000 Mo\n0.000612 0.000613 0.204525 O\n0.999388 0.999387 0.795474 O\n0.407141 0.902277 0.425111 O\n0.902278 0.407140 0.425111 O\n0.592860 0.097723 0.574888 O\n0.092634 0.579659 0.082765 O\n0.579660 0.092633 0.082765 O\n0.500756 0.500756 0.816959 O\n0.420341 0.907366 0.917234 O\n0.907367 0.420340 0.917234 O\n0.097723 0.592860 0.574888 O\n0.499245 0.499244 0.183039 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Dy",
"Mo",
"O"
],
"chemical_system": "Dy-Mo-O",
"density": 7.873026729821821,
"density_atomic": 0.07529735117863515,
"volume": 252.3329134769226,
"volume_molar": 7.997812228099626,
"formula_full": "Dy5 Mo2 O12",
"formula_reduced": "Dy5(MoO6)2",
"formula_anonymous": "A2B5C12",
"energy_above_hull": 3.0058587526315788,
"spacegroup": 12
},
{
"id": "jvasp-47788",
"created_at": "2022-09-04T14:37:00.520515Z",
"updated_at": "2022-09-04T14:37:00.520542Z",
"structure_string": "Li2 Fe5 O10\n1.0\n4.948109 -0.083365 -0.108416\n0.890898 4.813962 -0.011812\n2.278010 1.893578 6.763661\nLi Fe O\n2 5 10\ndirect\n0.503812 0.759005 0.427839 Li\n0.496189 0.240994 0.572161 Li\n0.000557 0.894113 0.685351 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.993018 0.312692 0.892809 Fe\n0.006983 0.687307 0.107191 Fe\n-0.000557 0.105887 0.314649 Fe\n0.217878 0.338433 0.063244 O\n0.761694 0.213702 0.764397 O\n0.792948 0.453540 0.324726 O\n0.207053 0.546460 0.675273 O\n0.767457 0.893575 0.531177 O\n0.782123 0.661567 0.936756 O\n0.232544 0.106424 0.468823 O\n0.212155 0.957893 0.860909 O\n0.238307 0.786297 0.235602 O\n0.787846 0.042107 0.139090 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.623510591228912,
"density_atomic": 0.1044664075164275,
"volume": 162.7317374470518,
"volume_molar": 5.764667229561819,
"formula_full": "Li2 Fe5 O10",
"formula_reduced": "Li2(FeO2)5",
"formula_anonymous": "A2B5C10",
"energy_above_hull": 3.054671323529412,
"spacegroup": 2
}
]
}