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{
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{
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"structure_string": "Na1 Ni1 I1 O6\n1.0\n5.003589 -0.000000 0.000000\n-2.501795 4.333235 0.000000\n0.000000 0.000000 5.091185\nNa Ni I O\n1 1 1 6\ndirect\n0.333333 0.666667 -0.000000 Na\n0.666667 0.333334 0.500000 Ni\n0.000000 0.000000 0.500000 I\n0.337594 0.041255 0.709221 O\n0.958745 0.662407 0.290778 O\n0.337594 0.296339 0.290778 O\n0.703662 0.041255 0.290778 O\n0.958745 0.296339 0.709221 O\n0.703661 0.662407 0.709221 O\n",
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"nsites": 30,
"nelements": 5,
"elements": [
"Pr",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-P-Pr",
"density": 2.9708861524807766,
"density_atomic": 0.08917972571269155,
"volume": 336.39933023174314,
"volume_molar": 6.752813727417601,
"formula_full": "Pr2 P2 H10 C2 O14",
"formula_reduced": "PrPH5CO7",
"formula_anonymous": "ABCD5E7",
"energy_above_hull": 3.2343346566666678,
"spacegroup": 2
}
]
}