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"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.524203 0.000000 -0.316337\n0.000000 6.757537 0.000000\n-0.149012 0.000000 16.894253\nRb Si Bi S\n4 4 4 16\ndirect\n0.248187 0.244745 0.965477 Rb\n0.748186 0.255255 0.465477 Rb\n0.251814 0.744746 0.534522 Rb\n0.751813 0.755255 0.034522 Rb\n0.955085 0.268777 0.158661 Si\n0.455085 0.231223 0.658661 Si\n0.544914 0.768778 0.341339 Si\n0.044915 0.731223 0.841339 Si\n0.961870 0.286633 0.722777 Bi\n0.038129 0.713367 0.277222 Bi\n0.461870 0.213367 0.222778 Bi\n0.538129 0.786633 0.777222 Bi\n0.865734 0.992639 0.856110 S\n0.840836 0.494854 0.864762 S\n0.340837 0.005146 0.364762 S\n0.159163 0.505146 0.135238 S\n0.180592 0.240754 0.584582 S\n0.819408 0.759247 0.415418 S\n0.623748 0.813220 0.220146 S\n0.376251 0.186781 0.779853 S\n0.680592 0.259246 0.084582 S\n0.876251 0.313220 0.279853 S\n0.134265 0.007361 0.143889 S\n0.634265 0.492639 0.643889 S\n0.659163 0.994855 0.635237 S\n0.365734 0.507361 0.356111 S\n0.319408 0.740754 0.915418 S\n0.123749 0.686781 0.720146 S\n",
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"created_at": "2022-09-04T14:36:19.136539Z",
"updated_at": "2022-09-04T14:36:19.136559Z",
"structure_string": "Ba2 Co1 Mo1 O6\n1.0\n4.965782 -0.001831 2.866999\n1.656948 4.681080 2.866920\n-0.000034 -0.000249 5.733882\nBa Co Mo O\n2 1 1 6\ndirect\n0.750002 0.749999 0.749999 Ba\n0.249999 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Mo\n0.740609 0.259385 0.740506 O\n0.740504 0.259486 0.259386 O\n0.259442 0.259469 0.740550 O\n0.259497 0.740514 0.740613 O\n0.740559 0.740531 0.259449 O\n0.259392 0.740615 0.259494 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Co",
"Mo",
"O"
],
"chemical_system": "Ba-Co-Mo-O",
"density": 6.546256102159576,
"density_atomic": 0.07501561506831576,
"volume": 133.30557899036256,
"volume_molar": 8.02784960773262,
"formula_full": "Ba2 Co1 Mo1 O6",
"formula_reduced": "Ba2CoMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.540799974,
"spacegroup": 225
}
]
}