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"structure_string": "In6 Sb10 O24\n1.0\n8.703867 0.022244 -3.090917\n-4.384089 7.519146 -3.090917\n0.012741 0.022244 9.236390\nIn Sb O\n6 10 24\ndirect\n0.247727 0.747710 0.497716 In\n0.247727 0.497716 0.747710 In\n0.497717 0.747710 0.247727 In\n0.747710 0.247727 0.497716 In\n0.747710 0.497716 0.247727 In\n0.497717 0.247727 0.747710 In\n0.516614 0.516614 0.516613 Sb\n0.279463 0.997698 0.279462 Sb\n0.997710 0.997710 0.478811 Sb\n0.997710 0.478811 0.997709 Sb\n0.997727 0.715987 0.715987 Sb\n0.715987 0.715987 0.997726 Sb\n0.715988 0.997727 0.715987 Sb\n0.997698 0.279462 0.279462 Sb\n0.478811 0.997710 0.997710 Sb\n0.279462 0.279462 0.997697 Sb\n0.700110 0.700110 0.204893 O\n0.295338 0.502511 0.997710 O\n0.502512 0.997710 0.295337 O\n0.204894 0.700110 0.700110 O\n0.520981 0.997716 0.795745 O\n0.790538 0.492946 0.492946 O\n0.997716 0.795746 0.520981 O\n0.795746 0.520981 0.997715 O\n0.795746 0.997716 0.520981 O\n0.997716 0.520981 0.795745 O\n0.520981 0.795746 0.997715 O\n0.722941 0.199711 0.199711 O\n0.199712 0.199711 0.722941 O\n0.492946 0.790538 0.492946 O\n0.199712 0.722942 0.199712 O\n0.474464 0.474463 0.272476 O\n0.474464 0.272476 0.474463 O\n0.502511 0.295337 0.997710 O\n0.295338 0.997710 0.502511 O\n0.997710 0.502511 0.295337 O\n0.997710 0.295337 0.502511 O\n0.492946 0.492946 0.790538 O\n0.272476 0.474463 0.474463 O\n0.700110 0.204893 0.700110 O\n",
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"created_at": "2022-09-04T14:38:52.713995Z",
"updated_at": "2022-09-04T14:38:52.714024Z",
"structure_string": "Ho16 Mg4 Ni4\n1.0\n8.226737 0.000000 4.749708\n2.742246 7.756242 4.749708\n0.000000 0.000000 9.499417\nHo Mg Ni\n16 4 4\ndirect\n0.345958 0.345957 0.345958 Ho\n0.934176 0.934175 0.565825 Ho\n0.565825 0.565826 0.934174 Ho\n0.934176 0.565826 0.934174 Ho\n0.565827 0.934175 0.565825 Ho\n0.934176 0.565826 0.565825 Ho\n0.812779 0.812778 0.187222 Ho\n0.187222 0.187222 0.812778 Ho\n0.565826 0.934175 0.934174 Ho\n0.187223 0.812778 0.187222 Ho\n0.187223 0.812778 0.812778 Ho\n0.812778 0.187222 0.187222 Ho\n0.962128 0.345957 0.345958 Ho\n0.345958 0.962127 0.345958 Ho\n0.345958 0.345957 0.962128 Ho\n0.812778 0.187222 0.812778 Ho\n0.579726 0.579726 0.579726 Mg\n0.579726 0.579726 0.260823 Mg\n0.579726 0.260823 0.579726 Mg\n0.260823 0.579726 0.579726 Mg\n0.141967 0.574098 0.141967 Ni\n0.141967 0.141967 0.141967 Ni\n0.141967 0.141967 0.574098 Ni\n0.574099 0.141967 0.141967 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Ni"
],
"chemical_system": "Ho-Mg-Ni",
"density": 8.138757404185887,
"density_atomic": 0.03959454208869547,
"volume": 606.1441485101093,
"volume_molar": 15.209522429909258,
"formula_full": "Ho16 Mg4 Ni4",
"formula_reduced": "Ho4MgNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0312289527777778,
"spacegroup": 216
},
{
"id": "jvasp-76280",
"created_at": "2022-09-04T14:35:58.714083Z",
"updated_at": "2022-09-04T14:35:58.714120Z",
"structure_string": "Li24 Mg6 Si8\n1.0\n8.704611 0.000000 -3.077544\n-4.352305 7.538413 -3.077544\n-0.000000 -0.000000 9.232634\nLi Mg Si\n24 6 8\ndirect\n0.112769 0.082827 0.269708 Li\n0.887230 0.470058 0.156939 Li\n0.029942 0.917172 0.686879 Li\n0.343061 0.813120 0.730292 Li\n0.612769 0.769708 0.582827 Li\n0.769707 0.582827 0.612770 Li\n0.387230 0.656938 0.970058 Li\n0.186879 0.417173 0.529942 Li\n0.313120 0.843061 0.230292 Li\n0.082827 0.269708 0.112769 Li\n0.269708 0.112769 0.082827 Li\n0.970057 0.387230 0.656939 Li\n0.582827 0.612769 0.769708 Li\n0.230292 0.313120 0.843061 Li\n0.656938 0.970057 0.387231 Li\n0.529942 0.186880 0.417173 Li\n0.843061 0.230292 0.313121 Li\n0.686880 0.029942 0.917173 Li\n0.813120 0.730292 0.343062 Li\n0.730292 0.343061 0.813120 Li\n0.470058 0.156938 0.887230 Li\n0.156938 0.887230 0.470058 Li\n0.917172 0.686879 0.029943 Li\n0.417172 0.529942 0.186880 Li\n0.749999 0.875000 0.125000 Mg\n0.625000 0.375000 0.250000 Mg\n0.875000 0.125000 0.750000 Mg\n0.375000 0.250000 0.625000 Mg\n0.250000 0.625000 0.375000 Mg\n0.124999 0.750000 0.875000 Mg\n0.093026 0.500000 0.000000 Si\n0.406974 0.406974 0.406974 Si\n0.593026 0.500000 0.000000 Si\n-0.000000 0.593026 0.500000 Si\n0.500000 0.000000 0.593026 Si\n-0.000000 0.093026 0.500000 Si\n0.500000 -0.000000 0.093026 Si\n0.906973 0.906974 0.906974 Si\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.472135271543493,
"density_atomic": 0.06272326863817376,
"volume": 605.8357739486964,
"volume_molar": 9.601127126743659,
"formula_full": "Li24 Mg6 Si8",
"formula_reduced": "Li12Mg3Si4",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 1.240815005263158,
"spacegroup": 220
}
]
}