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"structure_string": "Sr6 Yb2\n1.0\n8.209185 0.000000 -0.000000\n-4.104593 7.109363 0.000000\n-0.000000 0.000000 6.740644\nYb Sr\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.168008 0.336017 0.250000 Sr\n0.663983 0.831991 0.250000 Sr\n0.168009 0.831991 0.250000 Sr\n0.831991 0.663983 0.750000 Sr\n0.336017 0.168008 0.750000 Sr\n0.831991 0.168008 0.750000 Sr\n",
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"created_at": "2022-09-04T14:35:48.626106Z",
"updated_at": "2022-09-04T14:35:48.626138Z",
"structure_string": "Rb4 Cl4 O16\n1.0\n5.781244 -0.000000 0.000000\n-0.000000 7.425734 0.000000\n0.000000 0.000000 9.157277\nRb Cl O\n4 4 16\ndirect\n0.250000 0.163052 0.181081 Rb\n0.749999 0.663051 0.318919 Rb\n0.250000 0.336948 0.681081 Rb\n0.749999 0.836948 0.818919 Rb\n0.250000 0.689741 0.069793 Cl\n0.749999 0.310258 0.930207 Cl\n0.749999 0.189742 0.430207 Cl\n0.250000 0.810258 0.569793 Cl\n0.250000 0.936251 0.691845 O\n0.749999 0.063748 0.308156 O\n0.749999 0.436251 0.808156 O\n0.250000 0.563748 0.191845 O\n0.544660 0.304297 0.420745 O\n0.749999 0.406320 0.068023 O\n0.250000 0.593680 0.931977 O\n0.044661 0.804297 0.079255 O\n0.544660 0.195703 0.920746 O\n0.955339 0.304297 0.420745 O\n0.455339 0.695702 0.579255 O\n0.955339 0.195703 0.920746 O\n0.455339 0.804297 0.079255 O\n0.044661 0.695702 0.579255 O\n0.749999 0.093680 0.568023 O\n0.250000 0.906320 0.431977 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Rb",
"density": 3.1243679701093168,
"density_atomic": 0.06104979399087157,
"volume": 393.12171968325697,
"volume_molar": 9.864309715607652,
"formula_full": "Rb4 Cl4 O16",
"formula_reduced": "RbClO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6640857954166663,
"spacegroup": 62
}
]
}