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],
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"density": 5.033053379380746,
"density_atomic": 0.06310409203279833,
"volume": 174.31516159495254,
"volume_molar": 9.543185815699548,
"formula_full": "Nd2 Ti2 S2 O5",
"formula_reduced": "Nd2Ti2S2O5",
"formula_anonymous": "A2B2C2D5",
"energy_above_hull": 2.6658770151515148,
"spacegroup": 139
},
{
"id": "jvasp-12681",
"created_at": "2022-09-04T14:36:53.326539Z",
"updated_at": "2022-09-04T14:36:53.326558Z",
"structure_string": "Y2 Ti2 S2 O5\n1.0\n3.812237 0.063318 -11.190325\n-0.026330 3.795746 -11.196078\n-0.079456 -0.063318 11.821600\nY Ti S O\n2 2 2 5\ndirect\n0.333001 0.333001 0.000001 Y\n0.667000 0.667001 0.000001 Y\n0.078815 0.078815 0.000000 Ti\n0.921186 0.921187 0.000002 Ti\n0.205507 0.205507 0.000000 S\n0.794494 0.794495 0.000001 S\n0.000000 0.000000 0.000000 O\n0.600125 0.100126 0.500000 O\n0.899888 0.399888 0.500000 O\n0.100112 0.600113 0.500000 O\n0.399874 0.899876 0.500000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Y",
"Ti",
"S",
"O"
],
"chemical_system": "O-S-Ti-Y",
"density": 4.202340666763647,
"density_atomic": 0.06664978517393016,
"volume": 165.04179227726323,
"volume_molar": 9.035499130694184,
"formula_full": "Y2 Ti2 S2 O5",
"formula_reduced": "Y2Ti2S2O5",
"formula_anonymous": "A2B2C2D5",
"energy_above_hull": 2.941536824242424,
"spacegroup": 139
}
]
}