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"created_at": "2022-09-04T14:37:03.056356Z",
"updated_at": "2022-09-04T14:37:03.056388Z",
"structure_string": "Tm4 V4 O14\n1.0\n6.100012 -0.000000 3.521844\n2.033337 5.751146 3.521844\n-0.000000 -0.000000 7.043686\nTm V O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.000000 -0.000000 Tm\n0.000000 0.500000 -0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 -0.000001 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.168879 0.168879 0.581121 O\n0.168879 0.581121 0.168879 O\n0.581121 0.168879 0.581121 O\n0.875000 0.875001 0.874999 O\n0.418879 0.418879 0.831121 O\n0.831121 0.418879 0.418879 O\n0.418879 0.831121 0.418879 O\n0.831121 0.418879 0.831120 O\n0.418879 0.831121 0.831120 O\n0.581121 0.581121 0.168879 O\n0.831121 0.831121 0.418878 O\n0.125000 0.125000 0.125000 O\n0.581121 0.168879 0.168879 O\n0.168879 0.581121 0.581120 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"V",
"O"
],
"chemical_system": "O-Tm-V",
"density": 7.415393077816296,
"density_atomic": 0.08903025376883437,
"volume": 247.1070121525504,
"volume_molar": 6.764150954389495,
"formula_full": "Tm4 V4 O14",
"formula_reduced": "Tm2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8210955818181818,
"spacegroup": 227
}
]
}