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"formula_reduced": "YbB4Rh",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.609944005555556,
"spacegroup": 55
},
{
"id": "jvasp-12194",
"created_at": "2022-09-04T14:35:59.306568Z",
"updated_at": "2022-09-04T14:35:59.306605Z",
"structure_string": "Te6 O18\n1.0\n6.396011 0.000000 0.000000\n-3.198006 5.539108 0.000000\n-0.000000 -0.000000 10.065558\nTe O\n6 18\ndirect\n0.662839 -0.000000 0.498869 Te\n0.662838 0.662839 -0.001131 Te\n-0.000000 0.337161 -0.001131 Te\n-0.000000 0.662839 0.498869 Te\n0.337161 0.337161 0.498869 Te\n0.337161 -0.000000 -0.001131 Te\n-0.000000 0.249819 0.168920 O\n-0.000000 0.750182 0.668920 O\n0.249818 0.249819 0.668920 O\n0.249818 -0.000000 0.168920 O\n0.536805 -0.000000 0.337429 O\n0.536804 0.536805 0.837429 O\n-0.000000 0.463195 0.837429 O\n-0.000000 0.536805 0.337429 O\n0.000000 0.000000 0.431270 O\n0.463195 -0.000000 0.837429 O\n0.750181 0.750182 0.168920 O\n0.000000 0.000000 0.931270 O\n0.333333 0.666667 0.043006 O\n0.666667 0.333333 0.543006 O\n0.333333 0.666667 0.543006 O\n0.666667 0.333333 0.043006 O\n0.463195 0.463195 0.337429 O\n0.750181 -0.000000 0.668920 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Te",
"density": 4.90606747553188,
"density_atomic": 0.06730143913985673,
"volume": 356.6045586354618,
"volume_molar": 8.948011865668436,
"formula_full": "Te6 O18",
"formula_reduced": "TeO3",
"formula_anonymous": "AB3",
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"spacegroup": 185
}
]
}