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"structure_string": "Y3 Ni13 B2\n1.0\n4.946568 -0.000000 0.000000\n-2.473284 4.283852 0.000000\n0.000000 0.000000 10.933870\nY Ni B\n3 13 2\ndirect\n0.000000 0.000000 0.328793 Y\n0.000000 0.000000 0.671207 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.866334 Ni\n0.500000 0.500000 0.500000 Ni\n0.666668 0.333333 0.681035 Ni\n0.500000 0.500000 0.133666 Ni\n0.666668 0.333333 0.318965 Ni\n0.000000 0.500000 0.133666 Ni\n0.333333 0.666667 0.681035 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.866334 Ni\n0.500000 0.500000 0.866334 Ni\n0.333333 0.666667 0.318965 Ni\n0.500000 0.000000 0.133666 Ni\n0.333333 0.666667 0.000000 B\n0.666668 0.333333 0.000000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Ni",
"B"
],
"chemical_system": "B-Ni-Y",
"density": 7.535040963685305,
"density_atomic": 0.07768911196297967,
"volume": 231.69269856730168,
"volume_molar": 7.751589132425227,
"formula_full": "Y3 Ni13 B2",
"formula_reduced": "Y3Ni13B2",
"formula_anonymous": "A2B3C13",
"energy_above_hull": 2.1508929287037035,
"spacegroup": 191
},
{
"id": "jvasp-120435",
"created_at": "2022-09-04T14:38:52.052426Z",
"updated_at": "2022-09-04T14:38:52.052444Z",
"structure_string": "Y6 Mn2 Au10\n1.0\n7.136131 -0.008472 3.145037\n2.047575 6.836072 3.145037\n-0.011396 -0.008472 7.798429\nY Mn Au\n6 2 10\ndirect\n0.891704 0.191351 0.620761 Y\n0.620760 0.891704 0.191352 Y\n0.191350 0.620761 0.891705 Y\n0.108295 0.808649 0.379240 Y\n0.379239 0.108296 0.808650 Y\n0.808649 0.379240 0.108296 Y\n0.654119 0.654120 0.654121 Mn\n0.345880 0.345880 0.345881 Mn\n0.060985 0.446436 0.682862 Au\n0.553563 0.317139 0.939015 Au\n0.317138 0.939014 0.553565 Au\n0.939013 0.553565 0.317140 Au\n0.000000 0.000000 0.000000 Au\n0.801750 0.801751 0.801752 Au\n0.499999 0.500000 0.500001 Au\n0.682861 0.060986 0.446436 Au\n0.198248 0.198249 0.198249 Au\n0.446435 0.682861 0.060987 Au\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Au"
],
"chemical_system": "Au-Mn-Y",
"density": 11.389882390348406,
"density_atomic": 0.0472505730830687,
"volume": 380.94776053520377,
"volume_molar": 12.745116867498723,
"formula_full": "Y6 Mn2 Au10",
"formula_reduced": "Y3MnAu5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.9001723823754797,
"spacegroup": 148
}
]
}