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{
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{
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"structure_string": "Zr6 Zn6 Pd12\n1.0\n4.553690 0.000000 0.000000\n0.000000 6.467353 0.000000\n0.000000 0.000000 13.645267\nPd Zn Zr\n12 6 6\ndirect\n0.499999 0.250305 0.000000 Pd\n0.499999 0.749696 0.000000 Pd\n0.000307 0.249708 0.166752 Pd\n0.000307 0.750293 0.166752 Pd\n0.500306 0.250293 0.333248 Pd\n0.500306 0.749707 0.333248 Pd\n0.000000 0.249696 0.500000 Pd\n0.000000 0.750304 0.500000 Pd\n0.499694 0.250293 0.666751 Pd\n0.499694 0.749707 0.666751 Pd\n0.999693 0.249708 0.833249 Pd\n0.999693 0.750293 0.833249 Pd\n0.000000 0.000000 0.000000 Zn\n0.500256 0.500001 0.166459 Zn\n0.000255 0.000000 0.333541 Zn\n0.499999 0.500001 0.500000 Zn\n0.999745 0.000000 0.666459 Zn\n0.499744 0.500001 0.833541 Zn\n0.000000 0.500001 0.000000 Zr\n0.500280 0.000000 0.166635 Zr\n0.000279 0.500001 0.333365 Zr\n0.499999 0.000000 0.500000 Zr\n0.999721 0.500001 0.666635 Zr\n0.499720 0.000000 0.833365 Zr\n",
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{
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"density_atomic": 0.07304683825006525,
"volume": 328.55631502953605,
"volume_molar": 8.244218236228207,
"formula_full": "Zr6 Zn6 Co12",
"formula_reduced": "ZrZnCo2",
"formula_anonymous": "ABC2",
"formation_energy": -0.277022491666666,
"spacegroup": 225
}
]
}