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{
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"structure_string": "Er4 Ru4 O14\n1.0\n6.193064 -0.000000 3.575567\n2.064355 5.838877 3.575567\n-0.000000 0.000000 7.151135\nEr Ru O\n4 4 14\ndirect\n0.499999 0.500000 0.500000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.499999 0.500000 0.000001 Er\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.500000 0.000000 Ru\n0.086370 0.663630 0.086371 O\n0.663629 0.086371 0.663629 O\n0.663629 0.086371 0.086371 O\n0.624999 0.625000 0.625000 O\n0.913628 0.336371 0.336371 O\n0.336370 0.913630 0.336371 O\n0.336370 0.336371 0.913629 O\n0.913628 0.913630 0.336372 O\n0.913628 0.336371 0.913630 O\n0.086370 0.663630 0.663629 O\n0.336370 0.913630 0.913630 O\n0.374999 0.375000 0.375000 O\n0.663628 0.663630 0.086371 O\n0.086370 0.086371 0.663629 O\n",
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"created_at": "2022-09-04T14:36:39.302776Z",
"updated_at": "2022-09-04T14:36:39.302793Z",
"structure_string": "Mn2 V2 O7\n1.0\n5.013468 0.097177 -0.652481\n-0.950810 5.075147 -1.511460\n0.046783 -0.131345 5.378311\nMn V O\n2 2 7\ndirect\n-0.000000 0.813608 0.186393 Mn\n-0.000000 0.186394 0.813607 Mn\n0.394212 0.748734 0.748733 V\n0.605788 0.251268 0.251267 V\n0.799036 0.442425 0.104890 O\n0.200965 0.895111 0.557576 O\n0.200964 0.557577 0.895110 O\n0.799036 0.104891 0.442424 O\n0.500000 0.500001 0.500000 O\n0.274790 0.074307 0.074307 O\n0.725211 0.925695 0.925694 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-V",
"density": 3.940988133987742,
"density_atomic": 0.08063663165990223,
"volume": 136.4144282017414,
"volume_molar": 7.468244439325458,
"formula_full": "Mn2 V2 O7",
"formula_reduced": "Mn2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.546686125705329,
"spacegroup": 12
}
]
}