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{
"id": "jvasp-97483",
"created_at": "2022-09-04T14:36:09.877334Z",
"updated_at": "2022-09-04T14:36:09.877357Z",
"structure_string": "Hf6 Si7 Ni16\n1.0\n6.979302 0.000000 4.029502\n2.326434 6.580149 4.029502\n0.000000 0.000000 8.059003\nHf Si Ni\n6 7 16\ndirect\n0.205345 0.794655 0.205345 Hf\n0.205345 0.794655 0.794654 Hf\n0.794654 0.794655 0.205345 Hf\n0.794654 0.205346 0.205345 Hf\n0.205345 0.205346 0.794654 Hf\n0.794654 0.205346 0.794654 Hf\n0.500000 0.500000 -0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 -0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n0.167596 0.167597 0.497210 Ni\n0.382063 0.853810 0.382063 Ni\n0.497210 0.167597 0.167596 Ni\n0.617936 0.617937 0.617936 Ni\n0.617936 0.617937 0.146190 Ni\n0.146190 0.617937 0.617936 Ni\n0.167596 0.497210 0.167597 Ni\n0.382063 0.382064 0.853809 Ni\n0.853809 0.382064 0.382063 Ni\n0.832403 0.832404 0.502790 Ni\n0.832403 0.832404 0.832403 Ni\n0.617936 0.146191 0.617936 Ni\n0.502789 0.832404 0.832403 Ni\n0.832403 0.502790 0.832403 Ni\n0.382063 0.382064 0.382063 Ni\n0.167596 0.167597 0.167597 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Hf",
"Si",
"Ni"
],
"chemical_system": "Hf-Ni-Si",
"density": 9.900340928504633,
"density_atomic": 0.07835540534437725,
"volume": 370.1084803600091,
"volume_molar": 7.6856736730954145,
"formula_full": "Hf6 Si7 Ni16",
"formula_reduced": "Hf6Si7Ni16",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.1394143655172413,
"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
}
]
}