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"structure_string": "Rb6 Ni2 F14\n1.0\n7.932570 -0.000000 0.000000\n0.000000 7.932570 -0.000000\n-0.000000 -0.000000 5.883701\nRb Ni F\n6 2 14\ndirect\n0.187823 0.687823 0.500000 Rb\n0.687823 0.812177 0.500000 Rb\n0.312177 0.187823 0.500000 Rb\n0.812177 0.312177 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.338863 0.161137 0.000000 F\n0.838863 0.338863 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.612899 0.112899 0.219516 F\n0.112899 0.387101 0.219516 F\n0.112899 0.387101 0.780484 F\n0.387101 0.887101 0.219516 F\n0.887101 0.612899 0.780484 F\n0.661137 0.838863 0.000000 F\n0.612899 0.112899 0.780484 F\n0.387101 0.887101 0.780484 F\n0.887101 0.612899 0.219516 F\n0.161137 0.661137 0.000000 F\n",
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"created_at": "2022-09-04T14:37:37.032609Z",
"updated_at": "2022-09-04T14:37:37.032628Z",
"structure_string": "Na8 Bi4 O10\n1.0\n4.982387 0.012879 0.004174\n2.495601 8.507439 -0.006439\n2.402365 2.978944 8.170097\nNa Bi O\n8 4 10\ndirect\n0.079773 0.797103 0.547550 Na\n0.588138 0.006014 0.325787 Na\n0.249934 0.380851 0.624030 Na\n0.908365 0.702484 0.960623 Na\n0.091637 0.297515 0.039376 Na\n0.750067 0.619149 0.375969 Na\n0.411863 0.993985 0.674213 Na\n0.920228 0.202897 0.452450 Na\n0.239379 0.874414 0.131838 Bi\n0.581516 0.561814 0.767157 Bi\n0.760623 0.125585 0.868162 Bi\n0.418485 0.438185 0.232843 Bi\n0.750571 0.381046 0.642415 O\n0.149131 0.545211 0.794470 O\n0.249430 0.618954 0.357584 O\n0.888103 0.973529 0.725091 O\n0.416621 0.223651 0.440434 O\n0.196644 0.121589 0.880981 O\n0.803357 0.878411 0.119018 O\n0.583381 0.776349 0.559565 O\n0.111898 0.026471 0.274909 O\n0.850870 0.454788 0.205529 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Bi",
"O"
],
"chemical_system": "Bi-Na-O",
"density": 5.66088414096094,
"density_atomic": 0.063567778279619,
"volume": 346.0872881733796,
"volume_molar": 9.47357438466716,
"formula_full": "Na8 Bi4 O10",
"formula_reduced": "Na4Bi2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.0720292818181818,
"spacegroup": 2
}
]
}