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"structure_string": "Mg4 Te8\n1.0\n7.081548 -0.000000 -0.000000\n0.000000 7.081548 -0.000000\n-0.000000 -0.000000 7.081548\nMg Te\n4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.385802 0.385802 0.385802 Te\n0.114198 0.614198 0.885802 Te\n0.885802 0.114198 0.614198 Te\n0.614198 0.885802 0.114198 Te\n0.614198 0.614198 0.614198 Te\n0.885802 0.385802 0.114198 Te\n0.114198 0.885802 0.385802 Te\n0.385802 0.114198 0.885802 Te\n",
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{
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"structure_string": "Rb6 H10 Pd2\n1.0\n7.685193 -0.000000 0.000000\n-0.000000 7.685193 0.000000\n0.000000 0.000000 6.013351\nRb H Pd\n6 10 2\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.184561 0.684560 0.500000 Rb\n0.815439 0.315439 0.500000 Rb\n0.684560 0.815439 0.500000 Rb\n0.315439 0.184561 0.500000 Rb\n0.109871 0.390128 0.193285 H\n0.890128 0.609871 0.193285 H\n0.609871 0.109871 0.193285 H\n0.390128 0.890128 0.193285 H\n0.890128 0.609871 0.806715 H\n0.609871 0.109871 0.806715 H\n0.390128 0.890128 0.806715 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.109871 0.390128 0.806715 Pd\n0.000000 0.500000 0.000000 Pd\n",
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{
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"structure_string": "Li6 Mo2 P4 O18\n1.0\n6.395873 0.019951 -3.129009\n-0.332518 7.061015 0.144094\n-0.019198 -0.007942 7.873272\nLi Mo P O\n6 2 4 18\ndirect\n0.953597 0.760559 0.821293 Li\n0.000963 0.494890 0.505890 Li\n0.446569 0.346192 0.745428 Li\n0.559061 0.660773 0.256461 Li\n0.156952 0.251857 0.177989 Li\n0.771420 -0.006802 0.000982 Li\n0.490324 0.003199 0.491733 Mo\n-0.002871 0.996319 0.505385 Mo\n0.386928 0.760406 0.811098 P\n0.104465 0.694431 0.249097 P\n0.615268 0.242434 0.189603 P\n0.874642 0.301668 0.750223 P\n0.452242 0.141096 0.257847 O\n0.898258 0.513753 0.747779 O\n0.989976 0.799767 0.065486 O\n0.317334 0.574377 0.704250 O\n0.631589 0.241045 0.635406 O\n0.517844 0.241164 0.977732 O\n0.531786 0.881704 0.736963 O\n0.807818 0.105492 0.255904 O\n0.107663 0.482069 0.254404 O\n0.504143 0.761086 0.022822 O\n0.345850 0.771207 0.345481 O\n0.951994 0.191863 0.933710 O\n0.690138 0.427470 0.297715 O\n0.002574 0.753430 0.384291 O\n-0.008726 0.233897 0.628935 O\n0.230468 0.086233 0.467856 O\n0.177715 0.876897 0.748922 O\n0.752175 0.911514 0.529292 O\n",
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"volume": 355.3053950706698,
"volume_molar": 5.943608616397178,
"formula_full": "Fe12 B4 O20",
"formula_reduced": "Fe3BO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.351057398148148,
"spacegroup": 55
}
]
}