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"created_at": "2022-09-04T14:36:10.683160Z",
"updated_at": "2022-09-04T14:36:10.683187Z",
"structure_string": "Na2 Zr1 Ni1 P4 O14\n1.0\n6.472565 0.131690 0.823628\n0.111633 6.349931 2.649650\n0.136424 0.173555 6.556907\nNa Zr Ni P O\n2 1 1 4 14\ndirect\n0.466647 0.925120 0.415526 Na\n0.745156 0.591446 0.820532 Na\n0.989468 0.992380 0.031402 Zr\n0.298530 0.550632 0.205191 Ni\n0.262929 0.447957 0.749825 P\n0.507961 0.029196 0.877159 P\n0.032350 0.133902 0.466438 P\n0.772190 0.537652 0.325010 P\n0.333960 0.554224 0.886962 O\n0.589564 0.928416 0.719862 O\n0.063080 0.315108 0.869977 O\n0.954326 0.021561 0.333848 O\n0.315873 0.918537 0.049511 O\n0.437498 0.268426 0.736987 O\n0.969414 0.651194 0.157358 O\n0.861498 0.307593 0.482043 O\n0.239604 0.235794 0.353763 O\n0.695448 0.648660 0.475105 O\n0.616187 0.505195 0.191102 O\n0.243261 0.594201 0.505822 O\n0.672624 0.043834 0.020190 O\n0.039914 0.979462 0.712803 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Zr",
"Ni",
"P",
"O"
],
"chemical_system": "Na-Ni-O-P-Zr",
"density": 3.397597999657479,
"density_atomic": 0.08277886756373984,
"volume": 265.76831318766193,
"volume_molar": 7.274973598017565,
"formula_full": "Na2 Zr1 Ni1 P4 O14",
"formula_reduced": "Na2ZrNi(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy_above_hull": 2.7557034499999995,
"spacegroup": 1
}
]
}