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"structure_string": "Ga8 Bi4 O18\n1.0\n5.980379 0.000000 0.000000\n0.000000 7.963963 0.000000\n0.000000 -0.000000 8.435411\nGa Bi O\n8 4 18\ndirect\n0.500000 0.148006 0.664763 Ga\n0.500000 0.851994 0.335237 Ga\n0.500000 0.648006 0.835237 Ga\n0.500000 0.351994 0.164763 Ga\n0.257514 0.500000 0.500000 Ga\n0.742486 0.000000 0.000000 Ga\n0.742486 0.500000 0.500000 Ga\n0.257514 0.000000 0.000000 Ga\n0.000000 0.170121 0.328428 Bi\n0.000000 0.829879 0.671572 Bi\n0.000000 0.670121 0.171572 Bi\n0.000000 0.329879 0.828428 Bi\n0.000000 0.349052 0.565764 O\n0.000000 0.650947 0.434236 O\n0.000000 0.849052 0.934236 O\n0.000000 0.150948 0.065764 O\n0.500000 0.632090 0.407506 O\n0.500000 0.367909 0.592494 O\n0.241505 0.372840 0.291396 O\n0.241505 0.627159 0.708604 O\n0.241505 0.872840 0.208604 O\n0.758496 0.127160 0.791396 O\n0.758496 0.627159 0.708604 O\n0.758496 0.372840 0.291396 O\n0.241505 0.127160 0.791396 O\n0.500000 0.132090 0.092494 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.758496 0.872840 0.208604 O\n0.500000 0.867909 0.907506 O\n",
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"created_at": "2022-09-04T14:37:03.750601Z",
"updated_at": "2022-09-04T14:37:03.750622Z",
"structure_string": "Sr6 As8\n1.0\n5.685625 -0.000000 1.897327\n2.842813 7.470118 0.948664\n0.004703 -0.000000 9.453486\nSr As\n6 8\ndirect\n0.554221 0.005648 0.333636 Sr\n0.893503 0.994352 0.666364 Sr\n0.309867 0.494352 0.833636 Sr\n0.637856 0.505648 0.166364 Sr\n0.003401 0.500000 0.500000 Sr\n0.253402 0.000000 0.000000 Sr\n0.414803 0.674693 0.505676 As\n0.595172 0.325308 0.494324 As\n0.839496 0.825308 0.005676 As\n0.670479 0.174693 0.994325 As\n0.313981 0.169212 0.660927 As\n0.144119 0.830788 0.339074 As\n0.724907 0.669212 0.839074 As\n0.233193 0.330788 0.160926 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sr",
"As"
],
"chemical_system": "As-Sr",
"density": 4.653844721655393,
"density_atomic": 0.03487405767608488,
"volume": 401.4445388040002,
"volume_molar": 17.268253714364082,
"formula_full": "Sr6 As8",
"formula_reduced": "Sr3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.0883616785714287,
"spacegroup": 43
}
]
}