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"density_atomic": 0.025787567183958048,
"volume": 387.78376915759657,
"volume_molar": 23.35288442310393,
"formula_full": "Rb2 Ag1 Mo1 I6",
"formula_reduced": "Rb2AgMoI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1615780809999997,
"spacegroup": 225
},
{
"id": "jvasp-98724",
"created_at": "2022-09-04T14:35:53.893408Z",
"updated_at": "2022-09-04T14:35:53.893426Z",
"structure_string": "Sr4 Al8 O16\n1.0\n5.198974 -0.028777 0.000000\n-0.476641 8.435872 0.000000\n0.000000 0.000000 8.844022\nSr Al O\n4 8 16\ndirect\n0.251662 0.490616 0.000505 Sr\n0.198398 0.031311 0.992940 Sr\n0.801601 0.968688 0.492940 Sr\n0.748337 0.509384 0.500505 Sr\n0.709583 0.190528 0.829763 Al\n0.290416 0.809472 0.329763 Al\n0.729122 0.799672 0.837606 Al\n0.270877 0.200327 0.337606 Al\n0.222155 0.709572 0.667256 Al\n0.777844 0.290427 0.167256 Al\n0.802516 0.679030 0.169490 Al\n0.197484 0.320969 0.669490 Al\n0.405949 0.269096 0.815584 O\n0.594050 0.730903 0.315584 O\n0.356838 0.008470 0.387988 O\n0.340525 0.331290 0.488991 O\n0.659474 0.668709 0.988991 O\n0.898712 0.268611 0.981857 O\n0.101287 0.731389 0.481857 O\n0.938330 0.166949 0.291535 O\n0.061670 0.833050 0.791534 O\n0.898067 0.207201 0.662723 O\n0.101932 0.792798 0.162723 O\n0.885630 0.485427 0.219727 O\n0.114369 0.514573 0.719726 O\n0.643161 0.991529 0.887988 O\n0.436716 0.264231 0.169834 O\n0.563283 0.735768 0.669833 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Al",
"O"
],
"chemical_system": "Al-O-Sr",
"density": 3.5215169591418913,
"density_atomic": 0.07220984860539142,
"volume": 387.7587412350485,
"volume_molar": 8.339777573706709,
"formula_full": "Sr4 Al8 O16",
"formula_reduced": "SrAl2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5529651299999998,
"spacegroup": 4
}
]
}