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{
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"structure_string": "Al10 B2 O18\n1.0\n2.863956 -7.559656 0.000000\n2.863956 7.559656 0.000000\n0.000000 0.000000 7.760958\nAl B O\n10 2 18\ndirect\n0.632508 0.864105 0.666988 Al\n0.702942 0.297060 0.832840 Al\n0.443863 0.556139 0.982672 Al\n0.556139 0.443863 0.482672 Al\n0.255269 0.744733 0.980718 Al\n0.297060 0.702942 0.332840 Al\n0.135897 0.367494 0.666988 Al\n0.864105 0.632508 0.166988 Al\n0.367494 0.135897 0.166988 Al\n0.744733 0.255269 0.480718 Al\n0.984470 0.015532 0.945073 B\n0.015532 0.984470 0.445073 B\n0.046032 0.953970 0.073634 O\n0.257747 0.162186 0.380762 O\n0.742255 0.837816 0.880762 O\n0.191008 0.808993 0.231335 O\n0.808993 0.191008 0.731336 O\n0.351852 0.648150 0.128639 O\n0.648150 0.351852 0.628639 O\n0.953970 0.046032 0.573634 O\n0.553332 0.932810 0.466222 O\n0.545458 0.454543 0.094726 O\n0.067192 0.446669 0.466222 O\n0.932810 0.553332 0.966222 O\n0.446669 0.067192 0.966222 O\n0.837816 0.742255 0.380762 O\n0.330417 0.669584 0.797616 O\n0.669584 0.330417 0.297616 O\n0.454543 0.545458 0.594727 O\n0.162186 0.257747 0.880762 O\n",
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"density_atomic": 0.07214770127868297,
"volume": 249.48819825141604,
"volume_molar": 8.34696137682674,
"formula_full": "Fe3 P3 O12",
"formula_reduced": "FePO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.653799166666667,
"spacegroup": 152
},
{
"id": "jvasp-50009",
"created_at": "2022-09-04T14:36:42.871840Z",
"updated_at": "2022-09-04T14:36:42.871867Z",
"structure_string": "La4 Pt4 O14\n1.0\n-5.298778 5.298778 -0.000000\n5.298778 -0.000000 5.298778\n5.298778 5.298778 0.000000\nLa Pt O\n4 4 14\ndirect\n0.625000 0.750000 0.125000 La\n0.125000 0.250000 0.125000 La\n0.125000 0.750000 0.125000 La\n0.125000 0.250000 0.625000 La\n0.625000 0.250000 0.125000 Pt\n0.625000 0.250000 0.625000 Pt\n0.625000 0.750000 0.625000 Pt\n0.125000 0.750000 0.625000 Pt\n0.957427 0.914853 0.542574 O\n0.542574 0.085147 0.957427 O\n0.957427 0.500000 0.957427 O\n0.250000 0.500000 0.250000 O\n0.542574 0.500000 0.542574 O\n0.292574 0.000000 0.707427 O\n0.292574 0.000000 0.292574 O\n0.707427 0.000000 0.707427 O\n0.000000 0.000000 0.000000 O\n0.542574 0.500000 0.957427 O\n0.707427 0.414853 0.292574 O\n0.707427 0.000000 0.292574 O\n0.957427 0.500000 0.542574 O\n0.292574 0.585147 0.707427 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"La",
"Pt",
"O"
],
"chemical_system": "La-O-Pt",
"density": 8.705675238947284,
"density_atomic": 0.07393762763355034,
"volume": 297.5480916027817,
"volume_molar": 8.14489313864239,
"formula_full": "La4 Pt4 O14",
"formula_reduced": "La2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.653807027272727,
"spacegroup": 227
}
]
}