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{
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{
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"structure_string": "Na6 Ca4 Bi2 O12\n1.0\n5.793878 0.010766 -1.075908\n-2.266361 5.332236 -1.075909\n0.000318 0.000481 10.602848\nNa Ca Bi O\n6 4 2 12\ndirect\n0.962190 0.712191 0.424374 Na\n0.287811 0.037812 0.075627 Na\n0.037811 0.287811 0.575626 Na\n0.712190 0.962190 0.924373 Na\n0.875002 0.125000 0.250000 Na\n0.125000 0.875002 0.750000 Na\n0.455516 0.205515 0.411024 Ca\n0.205515 0.455516 0.911024 Ca\n0.794486 0.544485 0.088976 Ca\n0.544486 0.794486 0.588976 Ca\n0.375001 0.625001 0.250000 Bi\n0.625001 0.375001 0.750000 Bi\n0.769638 0.527970 0.593988 O\n0.324349 0.066016 0.593987 O\n0.933985 0.675652 0.906013 O\n0.472032 0.230363 0.906012 O\n0.066016 0.324349 0.093987 O\n0.149002 0.850999 0.250000 O\n0.230364 0.472032 0.406012 O\n0.850999 0.149002 0.750000 O\n0.399002 0.600999 0.750000 O\n0.527970 0.769639 0.093988 O\n0.675652 0.933985 0.406013 O\n0.600999 0.399002 0.250000 O\n",
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"structure_string": "Rb2 Zr2 Cd2 F14\n1.0\n6.540904 0.019105 0.000000\n-2.947802 5.839028 -0.000000\n0.000000 0.000000 8.571164\nRb Zr Cd F\n2 2 2 14\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.806382 0.193617 0.750000 Zr\n0.193618 0.806382 0.250000 Zr\n0.807704 0.192295 0.250000 Cd\n0.192296 0.807705 0.750000 Cd\n0.205098 0.794902 0.486369 F\n0.205098 0.794902 0.013631 F\n0.990283 0.009715 0.750000 F\n0.472979 0.173441 0.750000 F\n0.826558 0.527020 0.750000 F\n0.435533 0.154491 0.250000 F\n0.527020 0.826558 0.250000 F\n0.173442 0.472980 0.250000 F\n0.009716 0.990285 0.250000 F\n0.564467 0.845509 0.750000 F\n0.154491 0.435533 0.750000 F\n0.794902 0.205097 0.513631 F\n0.794902 0.205097 0.986369 F\n0.845509 0.564467 0.250000 F\n",
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"updated_at": "2022-09-04T14:37:15.485639Z",
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"elements": [
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],
"chemical_system": "O-Zr",
"density": 4.991358849565435,
"density_atomic": 0.07318125927866194,
"volume": 327.9528151956505,
"volume_molar": 8.229075065610308,
"formula_full": "Zr8 O16",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
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"spacegroup": 62
}
]
}