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{
"id": "jvasp-21001",
"created_at": "2022-09-04T14:37:42.136120Z",
"updated_at": "2022-09-04T14:37:42.136144Z",
"structure_string": "Ta6 Si7 Ni16\n1.0\n6.900336 -0.000000 3.983910\n2.300112 6.505699 3.983910\n-0.000000 -0.000000 7.967821\nTa Si Ni\n6 7 16\ndirect\n0.797872 0.202128 0.202128 Ta\n0.202128 0.202128 0.797872 Ta\n0.797872 0.202128 0.797872 Ta\n0.202128 0.797872 0.202128 Ta\n0.202128 0.797872 0.797872 Ta\n0.797872 0.797872 0.202128 Ta\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.833401 0.833401 0.499798 Ni\n0.166599 0.166599 0.166599 Ni\n0.616634 0.616634 0.616633 Ni\n0.383366 0.383366 0.849900 Ni\n0.383366 0.849900 0.383366 Ni\n0.616634 0.150100 0.616633 Ni\n0.150100 0.616634 0.616634 Ni\n0.616634 0.616634 0.150100 Ni\n0.833401 0.833401 0.833400 Ni\n0.166599 0.166599 0.500201 Ni\n0.166599 0.500201 0.166599 Ni\n0.500202 0.166599 0.166599 Ni\n0.833401 0.499799 0.833400 Ni\n0.499799 0.833401 0.833401 Ni\n0.849900 0.383366 0.383366 Ni\n0.383366 0.383366 0.383366 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Ta",
"density": 10.312601043029611,
"density_atomic": 0.08107635668312116,
"volume": 357.68750825032265,
"volume_molar": 7.427739733714152,
"formula_full": "Ta6 Si7 Ni16",
"formula_reduced": "Ta6Si7Ni16",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.474508406896552,
"spacegroup": 225
},
{
"id": "jvasp-41421",
"created_at": "2022-09-04T14:37:27.955579Z",
"updated_at": "2022-09-04T14:37:27.955599Z",
"structure_string": "Ti6 Al16 Ni7\n1.0\n-0.000000 5.920552 5.920552\n5.920552 -0.000000 5.920552\n5.920552 5.920552 -0.000000\nTi Al Ni\n6 16 7\ndirect\n0.679716 0.320284 0.320284 Ti\n0.320284 0.679716 0.679716 Ti\n0.320284 0.679716 0.320284 Ti\n0.320284 0.320284 0.679716 Ti\n0.679716 0.320284 0.679716 Ti\n0.679716 0.679716 0.320284 Ti\n0.356972 0.881010 0.881010 Al\n0.881010 0.356972 0.881010 Al\n0.881010 0.881010 0.356972 Al\n0.881010 0.881010 0.881010 Al\n0.118990 0.643028 0.118990 Al\n0.643028 0.118990 0.118990 Al\n0.118990 0.118990 0.643028 Al\n0.118990 0.118990 0.118990 Al\n0.661782 0.014653 0.661782 Al\n0.661782 0.661782 0.014653 Al\n0.661782 0.661782 0.661782 Al\n0.338218 0.985346 0.338218 Al\n0.985346 0.338218 0.338218 Al\n0.338218 0.338218 0.985346 Al\n0.338218 0.338218 0.338218 Al\n0.014653 0.661782 0.661782 Al\n0.500000 0.500000 0.000001 Ni\n0.500001 0.000000 0.000000 Ni\n0.000001 0.500000 0.500000 Ni\n0.000000 0.500001 0.000000 Ni\n0.000000 0.000000 0.500001 Ni\n0.500000 0.000001 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Ti",
"density": 4.519796243855671,
"density_atomic": 0.06986849728486251,
"volume": 415.06546050022246,
"volume_molar": 8.619250440505379,
"formula_full": "Ti6 Al16 Ni7",
"formula_reduced": "Ti6Al16Ni7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 2.517507986206897,
"spacegroup": 225
}
]
}