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"energy_above_hull": 4.175496441379311,
"spacegroup": 225
},
{
"id": "jvasp-61544",
"created_at": "2022-09-04T14:36:11.300865Z",
"updated_at": "2022-09-04T14:36:11.300888Z",
"structure_string": "Zr6 Al16 Pt7\n1.0\n0.000000 6.218559 6.218559\n6.218559 -0.000000 6.218559\n6.218559 6.218559 0.000000\nZr Al Pt\n6 16 7\ndirect\n0.685396 0.314604 0.685396 Zr\n0.685396 0.314604 0.314604 Zr\n0.314604 0.685396 0.685396 Zr\n0.314604 0.314604 0.685396 Zr\n0.685396 0.685396 0.314604 Zr\n0.314604 0.685396 0.314604 Zr\n0.005747 0.664751 0.664751 Al\n0.664751 0.005747 0.664751 Al\n0.664751 0.664751 0.664751 Al\n0.994254 0.335249 0.335249 Al\n0.120062 0.639813 0.120062 Al\n0.335249 0.335249 0.335249 Al\n0.120062 0.120062 0.120062 Al\n0.120062 0.120062 0.639813 Al\n0.639813 0.120062 0.120062 Al\n0.879938 0.879938 0.879938 Al\n0.335249 0.335249 0.994254 Al\n0.664751 0.664751 0.005747 Al\n0.879938 0.360187 0.879938 Al\n0.879938 0.879938 0.360187 Al\n0.360187 0.879938 0.879938 Al\n0.335249 0.994254 0.335249 Al\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Pt"
],
"chemical_system": "Al-Pt-Zr",
"density": 8.095158708754761,
"density_atomic": 0.060297419276718084,
"volume": 480.9492735818865,
"volume_molar": 9.98739387562024,
"formula_full": "Zr6 Al16 Pt7",
"formula_reduced": "Zr6Al16Pt7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.12678591724138,
"spacegroup": 225
},
{
"id": "jvasp-91307",
"created_at": "2022-09-04T14:36:11.005088Z",
"updated_at": "2022-09-04T14:36:11.005109Z",
"structure_string": "Mn6 Ni16 P7\n1.0\n6.749384 0.000000 3.896759\n2.249795 6.363381 3.896759\n0.000000 0.000000 7.793518\nMn Ni P\n6 16 7\ndirect\n0.190819 0.809180 0.190820 Mn\n0.809180 0.190820 0.190820 Mn\n0.809179 0.809180 0.190821 Mn\n0.190820 0.190820 0.809181 Mn\n0.809180 0.190820 0.809181 Mn\n0.190819 0.809180 0.809181 Mn\n0.383287 0.850139 0.383288 Ni\n0.383287 0.383288 0.850140 Ni\n0.836461 0.836462 0.836463 Ni\n0.616712 0.616712 0.616713 Ni\n0.163538 0.509385 0.163538 Ni\n0.509385 0.163538 0.163538 Ni\n0.836461 0.490615 0.836463 Ni\n0.490614 0.836462 0.836463 Ni\n0.836461 0.836462 0.490616 Ni\n0.850138 0.383288 0.383288 Ni\n0.616712 0.149861 0.616713 Ni\n0.383287 0.383288 0.383288 Ni\n0.616712 0.616712 0.149861 Ni\n0.163538 0.163538 0.163538 Ni\n0.163538 0.163538 0.509385 Ni\n0.149860 0.616712 0.616713 Ni\n0.500000 -0.000000 0.500000 P\n-0.000000 0.500000 0.000000 P\n-0.000000 0.500000 0.500000 P\n0.499999 0.500000 0.000000 P\n-0.000000 -0.000000 0.500000 P\n0.500000 -0.000000 0.000000 P\n0.499999 0.500000 0.500001 P\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Ni",
"P"
],
"chemical_system": "Mn-Ni-P",
"density": 7.369661647436491,
"density_atomic": 0.08663879245296631,
"volume": 334.7230400948081,
"volume_molar": 6.950859527813993,
"formula_full": "Mn6 Ni16 P7",
"formula_reduced": "Mn6Ni16P7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 2.7732889775267537,
"spacegroup": 225
}
]
}