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"structure_string": "Zn4 Sn2 Sb2 O12\n1.0\n0.000000 5.414818 -0.009724\n8.043126 0.000000 0.000000\n0.000000 -0.001640 -5.417855\nZn Sn Sb O\n4 2 2 12\ndirect\n0.528429 0.750000 0.511090 Zn\n0.471572 0.250000 0.488908 Zn\n0.022781 0.750000 0.988575 Zn\n0.977219 0.250000 0.011423 Zn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.329248 0.572636 0.337893 O\n0.899773 0.750000 0.628047 O\n0.670753 0.072635 0.662106 O\n0.596390 0.250000 0.121018 O\n0.832307 0.927909 0.168157 O\n0.167693 0.072091 0.831842 O\n0.832307 0.572091 0.168157 O\n0.329248 0.927365 0.337893 O\n0.403610 0.750000 0.878980 O\n0.670753 0.427365 0.662106 O\n0.167693 0.427909 0.831842 O\n0.100227 0.250000 0.371951 O\n",
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"structure_string": "Ca4 Cu2 Sb2 O12\n1.0\n0.000000 5.742770 0.117843\n7.490929 0.000000 0.000000\n0.000000 -1.422032 -5.838508\nCa Cu Sb O\n4 2 2 12\ndirect\n0.465347 0.750000 0.418653 Ca\n0.534653 0.250000 0.581348 Ca\n0.936689 0.750000 0.954907 Ca\n0.063312 0.250000 0.045094 Ca\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.349779 0.538978 0.686477 O\n0.570415 0.750000 0.059804 O\n0.650221 0.038978 0.313524 O\n0.097430 0.250000 0.442497 O\n0.127003 0.945748 0.233547 O\n0.872997 0.054252 0.766454 O\n0.127003 0.554252 0.233547 O\n0.349779 0.961022 0.686477 O\n0.902571 0.750000 0.557504 O\n0.650221 0.461022 0.313524 O\n0.872997 0.445748 0.766454 O\n0.429586 0.250000 0.940197 O\n",
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"created_at": "2022-09-04T14:38:36.443046Z",
"updated_at": "2022-09-04T14:38:36.443062Z",
"structure_string": "Ca4 Ag2 Sb2 O12\n1.0\n0.000000 5.745107 0.077445\n7.648530 0.000000 0.000000\n0.000000 -1.309733 -5.964794\nCa Ag Sb O\n4 2 2 12\ndirect\n0.469271 0.750000 0.421357 Ca\n0.530729 0.250000 0.578642 Ca\n0.953893 0.750000 0.955090 Ca\n0.046108 0.250000 0.044909 Ca\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.346452 0.542471 0.669550 O\n0.598219 0.750000 0.073081 O\n0.653548 0.042471 0.330449 O\n0.096606 0.250000 0.441117 O\n0.121886 0.945620 0.231682 O\n0.878115 0.054380 0.768316 O\n0.121886 0.554380 0.231682 O\n0.346452 0.957529 0.669550 O\n0.903395 0.750000 0.558881 O\n0.653548 0.457529 0.330449 O\n0.878115 0.445620 0.768316 O\n0.401781 0.250000 0.926918 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ag",
"Sb",
"O"
],
"chemical_system": "Ag-Ca-O-Sb",
"density": 5.156870415895764,
"density_atomic": 0.07653248956785048,
"volume": 261.326922891602,
"volume_molar": 7.868737570154468,
"formula_full": "Ca4 Ag2 Sb2 O12",
"formula_reduced": "Ca2AgSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.5913455200000004,
"spacegroup": 11
}
]
}