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"energy_above_hull": 1.5858677499999996,
"spacegroup": 190
},
{
"id": "jvasp-9761",
"created_at": "2022-09-04T14:38:07.114961Z",
"updated_at": "2022-09-04T14:38:07.114982Z",
"structure_string": "Ba2 Nd4 Co2 S10\n1.0\n7.022291 -0.000000 -3.503154\n-1.747590 6.801360 -3.503154\n-0.032050 -0.041326 8.725642\nBa Nd Co S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.750000 0.750000 0.500000 Ba\n0.338102 0.161897 0.000000 Nd\n0.161897 0.661897 0.000000 Nd\n0.661897 0.838103 0.000001 Nd\n0.838102 0.338103 0.000000 Nd\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.500000 0.500000 0.000000 S\n0.489634 0.989634 0.272134 S\n0.989634 0.782499 0.272134 S\n0.282499 0.489634 0.272134 S\n0.010365 0.217500 0.727866 S\n0.717501 0.510365 0.727866 S\n0.510365 0.010365 0.727866 S\n0.217501 0.717500 0.727866 S\n0.782499 0.282499 0.272134 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"S"
],
"chemical_system": "Ba-Co-Nd-S",
"density": 5.1657986898655235,
"density_atomic": 0.04340348351784182,
"volume": 414.7132566583224,
"volume_molar": 13.874786703524583,
"formula_full": "Ba2 Nd4 Co2 S10",
"formula_reduced": "BaNd2CoS5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.874333318888889,
"spacegroup": 140
}
]
}