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"structure_string": "Li2 V2 P4 O14\n1.0\n6.249300 -0.289034 -0.077616\n-2.448185 5.928068 -0.013612\n-1.916273 -1.864212 7.359370\nLi V P O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.585665 0.308007 0.769024 V\n0.414337 0.691994 0.230976 V\n0.157638 0.430980 0.779461 P\n0.545522 0.771705 0.681828 P\n0.454480 0.228296 0.318172 P\n0.842363 0.569022 0.220539 P\n0.441367 0.006728 0.210370 O\n0.287296 0.312204 0.199216 O\n0.738665 0.435585 0.367010 O\n0.118075 0.646495 0.290342 O\n0.599682 0.794887 0.502557 O\n0.400320 0.205115 0.497443 O\n0.558633 -0.006728 0.789629 O\n0.261337 0.564416 0.632990 O\n0.712705 0.687797 0.800783 O\n0.790081 0.785174 0.237052 O\n0.209921 0.214827 0.762948 O\n0.292426 0.604762 0.967084 O\n0.881927 0.353506 0.709658 O\n0.707576 0.395239 0.032916 O\n",
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"structure_string": "Sr6 Li2 Ir2 O12\n1.0\n6.714188 -0.006393 -0.257711\n-0.267547 6.708858 -0.257711\n-0.006149 -0.006393 6.719128\nSr Li Ir O\n6 2 2 12\ndirect\n0.890077 0.250001 0.609924 Sr\n0.390076 0.109924 0.750000 Sr\n0.750000 0.390077 0.109924 Sr\n0.109923 0.750000 0.390077 Sr\n0.250000 0.609924 0.890077 Sr\n0.609923 0.890077 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500001 0.500000 Ir\n0.217404 0.414216 0.546590 O\n0.085785 0.282596 0.953410 O\n0.953410 0.085785 0.282596 O\n0.546590 0.217405 0.414215 O\n0.585785 0.453411 0.782596 O\n0.782596 0.585786 0.453410 O\n0.717404 0.046591 0.914216 O\n0.914215 0.717405 0.046590 O\n0.046590 0.914216 0.717405 O\n0.453410 0.782596 0.585785 O\n0.414215 0.546591 0.217405 O\n0.282595 0.953410 0.085785 O\n",
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"created_at": "2022-09-04T14:37:07.567134Z",
"updated_at": "2022-09-04T14:37:07.567169Z",
"structure_string": "Sr8 Pt2 O12\n1.0\n6.921696 0.008807 -0.014179\n-0.014227 6.921688 -0.014179\n0.008778 0.008807 6.921706\nSr Pt O\n8 2 12\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.750000 Sr\n0.617677 0.882324 0.250000 Sr\n0.250000 0.617678 0.882323 Sr\n0.882323 0.250001 0.617677 Sr\n0.382323 0.117678 0.750000 Sr\n0.750000 0.382323 0.117677 Sr\n0.117677 0.750000 0.382323 Sr\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500001 0.500000 Pt\n0.072908 0.286851 0.941863 O\n0.786851 0.572909 0.441862 O\n0.558138 0.213149 0.427092 O\n0.427092 0.558138 0.213149 O\n0.213149 0.427092 0.558138 O\n0.713150 0.058138 0.927092 O\n0.927092 0.713150 0.058138 O\n0.058137 0.927092 0.713149 O\n0.441862 0.786852 0.572908 O\n0.572908 0.441863 0.786851 O\n0.941863 0.072909 0.286851 O\n0.286851 0.941863 0.072908 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Pt",
"O"
],
"chemical_system": "O-Pt-Sr",
"density": 6.425035869831031,
"density_atomic": 0.06634093602176362,
"volume": 331.6202833312865,
"volume_molar": 9.077563750418586,
"formula_full": "Sr8 Pt2 O12",
"formula_reduced": "Sr4PtO6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.4028452399999998,
"spacegroup": 167
}
]
}