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{
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{
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"structure_string": "Zn8 B4 O16\n1.0\n3.183771 -0.000000 0.000000\n0.000000 9.336396 0.000000\n-0.000000 0.000000 9.412232\nZn B O\n8 4 16\ndirect\n0.250000 0.069172 0.120304 Zn\n0.750000 0.930829 0.879696 Zn\n0.750000 0.569172 0.379696 Zn\n0.250000 0.430828 0.620304 Zn\n0.250000 0.693619 0.106259 Zn\n0.750000 0.306382 0.893741 Zn\n0.750000 0.193618 0.393741 Zn\n0.250000 0.806382 0.606259 Zn\n0.250000 0.121714 0.661003 B\n0.750000 0.878287 0.338997 B\n0.750000 0.621714 0.838997 B\n0.250000 0.378286 0.161003 B\n0.750000 0.383458 0.486807 O\n0.250000 0.616542 0.513193 O\n0.250000 0.126819 0.515329 O\n0.750000 0.873181 0.484670 O\n0.750000 0.626819 0.984670 O\n0.250000 0.373181 0.015330 O\n0.250000 0.990241 0.729148 O\n0.750000 0.748060 0.760734 O\n0.750000 0.490240 0.770851 O\n0.250000 0.509760 0.229148 O\n0.250000 0.248060 0.739266 O\n0.750000 0.751940 0.260734 O\n0.750000 0.116542 0.986807 O\n0.250000 0.251940 0.239266 O\n0.750000 0.009760 0.270852 O\n0.250000 0.883458 0.013193 O\n",
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"structure_string": "Zn8 As8\n1.0\n5.789104 -0.000000 0.000000\n0.000000 7.317375 0.000000\n0.000000 0.000000 7.629480\nZn As\n8 8\ndirect\n0.543675 0.617942 0.633473 Zn\n0.043676 0.882059 0.366527 Zn\n0.456324 0.117941 0.866527 Zn\n0.956324 0.382059 0.133473 Zn\n0.456324 0.382059 0.366527 Zn\n0.956324 0.117941 0.633473 Zn\n0.543675 0.882059 0.133473 Zn\n0.043676 0.617942 0.866527 Zn\n0.136586 0.074396 0.101960 As\n0.636586 0.425604 0.898040 As\n0.863413 0.574397 0.398040 As\n0.363413 0.925604 0.601960 As\n0.863413 0.925604 0.898040 As\n0.363413 0.574397 0.101960 As\n0.136586 0.425604 0.601960 As\n0.636586 0.074396 0.398040 As\n",
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{
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"structure_string": "Zn8 As4 O16\n1.0\n4.404019 0.000000 -0.026622\n0.000000 4.384244 0.000000\n0.094041 0.000000 16.403662\nZn As O\n8 4 16\ndirect\n0.015475 0.258164 0.935817 Zn\n-0.015475 0.758164 0.564183 Zn\n-0.015475 0.741835 0.064183 Zn\n0.015475 0.241835 0.435817 Zn\n0.484388 0.741828 0.935816 Zn\n0.515612 0.241829 0.564184 Zn\n0.515612 0.258171 0.064184 Zn\n0.484388 0.758170 0.435816 Zn\n0.249937 0.000552 0.221203 As\n0.750063 0.500551 0.278797 As\n0.750063 0.999447 0.778797 As\n0.249937 0.499448 0.721203 As\n0.552794 0.201947 0.698766 O\n0.447206 0.701946 0.801234 O\n0.052821 0.202854 0.301254 O\n0.947179 0.702854 0.198747 O\n0.947179 0.797145 0.698746 O\n0.052821 0.297146 0.801253 O\n-0.013646 0.744552 0.436417 O\n0.486413 0.744492 0.563538 O\n0.013646 0.255447 0.563583 O\n-0.013646 0.755447 0.936417 O\n0.513587 0.255507 0.436461 O\n0.486414 0.755506 0.063539 O\n0.552794 0.298053 0.198766 O\n0.513587 0.244493 0.936462 O\n0.013646 0.244552 0.063583 O\n0.447206 0.798052 0.301234 O\n",
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],
"chemical_system": "Mo-Zn",
"density": 7.677311987204222,
"density_atomic": 0.06678743663195262,
"volume": 119.78300715575928,
"volume_molar": 9.016876621850871,
"formula_full": "Zn7 Mo1",
"formula_reduced": "Zn7Mo",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}