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"created_at": "2022-09-04T14:35:51.443436Z",
"updated_at": "2022-09-04T14:35:51.443461Z",
"structure_string": "Sr12 Pr8 B16 O48\n1.0\n7.325294 0.000000 0.000000\n0.000000 8.852617 0.000000\n0.000000 0.000000 16.712575\nSr Pr B O\n12 8 16 48\ndirect\n0.695510 0.648779 0.675389 Sr\n0.680419 0.651649 0.427481 Sr\n0.180419 0.848351 0.427481 Sr\n0.819580 0.151649 0.927481 Sr\n0.038400 0.327491 0.721831 Sr\n0.961600 0.672509 0.221831 Sr\n0.461600 0.827491 0.221831 Sr\n0.195510 0.851221 0.675389 Sr\n0.804490 0.148779 0.175390 Sr\n0.319580 0.348351 0.927481 Sr\n0.304490 0.351221 0.175390 Sr\n0.538400 0.172509 0.721831 Sr\n0.819118 0.035142 0.554723 Pr\n0.968264 0.671483 0.883862 Pr\n0.468265 0.828517 0.883862 Pr\n0.531735 0.171483 0.383862 Pr\n0.319118 0.464858 0.554723 Pr\n0.680881 0.535142 0.054723 Pr\n0.031735 0.328517 0.383862 Pr\n0.180882 0.964858 0.054723 Pr\n0.159631 0.061276 0.261257 B\n0.840369 0.938725 0.761257 B\n0.340369 0.561276 0.761257 B\n0.659630 0.438725 0.261257 B\n0.171614 0.049279 0.845396 B\n0.828386 0.950721 0.345396 B\n0.671613 0.450721 0.845396 B\n0.227143 0.141870 0.552387 B\n0.328386 0.549279 0.345396 B\n0.272857 0.641870 0.052387 B\n0.727142 0.358130 0.552387 B\n0.513558 0.129603 0.049324 B\n0.486442 0.870397 0.549323 B\n0.986442 0.629604 0.549323 B\n0.013558 0.370397 0.049324 B\n0.772857 0.858130 0.052387 B\n0.209857 0.529125 0.819133 O\n0.419777 0.704405 0.760110 O\n0.580222 0.295595 0.260110 O\n0.709857 0.970875 0.819133 O\n0.290142 0.029125 0.319134 O\n0.790142 0.470875 0.319134 O\n0.858112 0.995594 0.052236 O\n0.271825 0.216840 0.621606 O\n0.641887 0.495594 0.552236 O\n0.358113 0.504407 0.052236 O\n0.741950 0.781914 0.980536 O\n0.241951 0.718086 0.980536 O\n0.808570 0.490844 0.792495 O\n0.919777 0.795595 0.760110 O\n0.141887 0.004406 0.552236 O\n0.614302 0.261651 0.046244 O\n0.080222 0.204405 0.260110 O\n0.611036 0.540925 0.202746 O\n0.728175 0.783160 0.121606 O\n0.228175 0.716840 0.121606 O\n0.771824 0.283160 0.621606 O\n0.459282 0.055945 0.978678 O\n0.540717 0.944056 0.478679 O\n0.040717 0.555945 0.478679 O\n0.959282 0.444056 0.978678 O\n0.451899 0.072371 0.121920 O\n0.548100 0.927629 0.621920 O\n0.048101 0.572371 0.621920 O\n0.951899 0.427629 0.121920 O\n0.114302 0.238349 0.046244 O\n0.885697 0.761652 0.546244 O\n0.388964 0.459076 0.702746 O\n0.385697 0.738349 0.546244 O\n0.113576 0.939839 0.900618 O\n0.613576 0.560162 0.900618 O\n0.386423 0.439839 0.400618 O\n0.102020 0.193218 0.848025 O\n0.258049 0.218086 0.480536 O\n0.397980 0.693219 0.348025 O\n0.602020 0.306782 0.848025 O\n0.691430 0.990844 0.292495 O\n0.308570 0.009156 0.792495 O\n0.758049 0.281914 0.480536 O\n0.191430 0.509156 0.292495 O\n0.888964 0.040925 0.702746 O\n0.111036 0.959076 0.202746 O\n0.886423 0.060162 0.400618 O\n0.897979 0.806782 0.348025 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"B",
"O"
],
"chemical_system": "B-O-Pr-Sr",
"density": 4.779854126160161,
"density_atomic": 0.0775066884805308,
"volume": 1083.7774345255414,
"volume_molar": 7.769833646695827,
"formula_full": "Sr12 Pr8 B16 O48",
"formula_reduced": "Sr3Pr2(BO3)4",
"formula_anonymous": "A2B3C4D12",
"energy_above_hull": 2.777697664920635,
"spacegroup": 33
}
]
}