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{
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"created_at": "2022-09-04T14:36:40.647840Z",
"updated_at": "2022-09-04T14:36:40.647864Z",
"structure_string": "Zr7 N4 O8\n1.0\n6.190595 -0.003725 0.007198\n-0.995481 6.169414 0.004782\n-1.096340 -1.358447 6.201658\nZr N O\n7 4 8\ndirect\n0.281510 0.127634 0.617415 Zr\n0.000000 0.000000 0.000000 Zr\n0.842370 0.385887 0.678552 Zr\n0.604044 0.322493 0.133794 Zr\n0.395957 0.677505 0.866207 Zr\n0.157631 0.614111 0.321449 Zr\n0.718491 0.872364 0.382585 Zr\n0.070007 0.925227 0.317370 N\n0.433444 0.592584 0.181358 N\n0.929993 0.074771 0.682630 N\n0.566556 0.407414 0.818642 N\n0.425011 0.830378 0.592208 O\n0.323401 0.080600 0.950247 O\n0.574990 0.169620 0.407792 O\n0.944373 0.327726 0.108066 O\n0.183744 0.428832 0.570483 O\n0.816257 0.571166 0.429517 O\n0.055627 0.672272 0.891934 O\n0.676600 0.919398 0.049754 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 5.765137927189752,
"density_atomic": 0.08019195104446156,
"volume": 236.93150936639086,
"volume_molar": 7.509657367808759,
"formula_full": "Zr7 N4 O8",
"formula_reduced": "Zr7(NO2)4",
"formula_anonymous": "A4B7C8",
"energy_above_hull": 4.495142763157895,
"spacegroup": 2
}
]
}