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"formula_full": "Be1 Ir2 Br1",
"formula_reduced": "BeIr2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.84620810125,
"spacegroup": 99
},
{
"id": "jvasp-90830",
"created_at": "2022-09-04T14:35:41.699650Z",
"updated_at": "2022-09-04T14:35:41.699679Z",
"structure_string": "Ti3 Pd5\n1.0\n3.305489 0.000000 -0.000000\n0.000000 3.305489 -0.000000\n-0.000000 0.000000 11.610474\nTi Pd\n3 5\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.857538 Ti\n0.500000 0.500000 0.142461 Ti\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.754833 Pd\n0.000000 0.000000 0.245167 Pd\n0.500000 0.500000 0.624702 Pd\n0.500000 0.500000 0.375298 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Pd"
],
"chemical_system": "Pd-Ti",
"density": 8.844683086781874,
"density_atomic": 0.06306212546034251,
"volume": 126.85902895916362,
"volume_molar": 9.549536613362495,
"formula_full": "Ti3 Pd5",
"formula_reduced": "Ti3Pd5",
"formula_anonymous": "A3B5",
"energy_above_hull": 2.8462404375,
"spacegroup": 123
}
]
}