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{
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{
"id": "mp-697945",
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{
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"structure_string": "K4 Cr8 H4 C40 O40\n1.0\n6.979145 0.000000 0.000000\n-1.571675 8.441407 0.000000\n-2.104851 -1.041854 28.615682\nK Cr H C O\n4 8 4 40 40\ndirect\n0.592455 0.757305 0.871465 K\n0.407545 0.242695 0.128535 K\n0.324683 0.710743 0.364736 K\n0.675317 0.289257 0.635264 K\n0.808746 0.795407 0.208555 Cr\n0.191254 0.204593 0.791445 Cr\n0.985178 0.106636 0.280047 Cr\n0.014822 0.893364 0.719953 Cr\n0.866481 0.311674 0.984384 Cr\n0.133519 0.688326 0.015616 Cr\n0.122507 0.189926 0.485727 Cr\n0.877493 0.810074 0.514273 Cr\n0.017465 0.042652 0.919666 H\n0.982535 0.957348 0.080334 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.764110 0.611741 0.170995 C\n0.235890 0.388259 0.829005 C\n0.048531 0.871058 0.181419 C\n0.951469 0.128942 0.818581 C\n0.319538 0.082428 0.833786 C\n0.680462 0.917572 0.166214 C\n0.430363 0.278314 0.764149 C\n0.569637 0.721686 0.235851 C\n0.064700 0.300815 0.741927 C\n0.935300 0.699185 0.258073 C\n0.037080 0.281615 0.321808 C\n0.962920 0.718385 0.678192 C\n0.090262 0.229260 0.229034 C\n0.909738 0.770740 0.770966 C\n0.164079 0.044553 0.939063 C\n0.835921 0.955447 0.060937 C\n0.817284 0.983739 0.322113 C\n0.182716 0.016261 0.677887 C\n0.255438 0.816065 0.743080 C\n0.744562 0.183935 0.256920 C\n0.730911 0.106267 0.967573 C\n0.269089 0.893733 0.032427 C\n0.088961 0.269729 0.958103 C\n0.911039 0.730271 0.041897 C\n0.774591 0.391163 0.927169 C\n0.225409 0.608837 0.072831 C\n0.651722 0.355980 0.016938 C\n0.348278 0.644020 0.983062 C\n0.027895 0.735982 0.955621 C\n0.972105 0.264018 0.044379 C\n0.255744 0.382498 0.466111 C\n0.744256 0.617502 0.533889 C\n0.189794 0.084893 0.431937 C\n0.810206 0.915107 0.568063 C\n0.883857 0.225280 0.453531 C\n0.116143 0.774720 0.546469 C\n0.948095 0.723173 0.458188 C\n0.051905 0.276827 0.541812 C\n0.349796 0.152860 0.520833 C\n0.650204 0.847140 0.479167 C\n0.734872 0.492262 0.148633 O\n0.265128 0.507738 0.851367 O\n0.190005 0.917273 0.162802 O\n0.809995 0.082727 0.837198 O\n0.396571 0.003498 0.858729 O\n0.603429 0.996502 0.141271 O\n0.573681 0.332254 0.747206 O\n0.426319 0.667746 0.252794 O\n0.997762 0.363346 0.710741 O\n0.002238 0.636654 0.289259 O\n0.087422 0.385421 0.349335 O\n0.912578 0.614579 0.650665 O\n0.142530 0.307589 0.198211 O\n0.857470 0.692411 0.801789 O\n0.820762 0.987884 0.710302 O\n0.179238 0.012116 0.289698 O\n0.709354 0.919209 0.347520 O\n0.290646 0.080791 0.652480 O\n0.384199 0.752773 0.754710 O\n0.615801 0.247227 0.245290 O\n0.651947 0.980079 0.954269 O\n0.348053 0.019921 0.045731 O\n0.237470 0.245608 0.941714 O\n0.762530 0.754392 0.058286 O\n0.721139 0.439420 0.891834 O\n0.278861 0.560580 0.108166 O\n0.526994 0.378097 0.039656 O\n0.473006 0.621903 0.960344 O\n0.957321 0.747616 0.917988 O\n0.042679 0.252384 0.082012 O\n0.339878 0.500667 0.451871 O\n0.660122 0.499333 0.548129 O\n0.231222 0.021010 0.398946 O\n0.768778 0.978990 0.601054 O\n0.741548 0.250468 0.433837 O\n0.258452 0.749532 0.566163 O\n0.986258 0.671245 0.422733 O\n0.013742 0.328755 0.577267 O\n0.488749 0.136518 0.544151 O\n0.511251 0.863482 0.455849 O\n",
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{
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{
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{
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"updated_at": "2021-11-28T01:36:44.523000Z",
"spacegroup": 216
},
{
"id": "mp-774757",
"created_at": "2022-09-04T14:44:56.034512Z",
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"nsites": 112,
"nelements": 5,
"elements": [
"Na",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-H-Na-O-P",
"density": 1.7762010450991714,
"density_atomic": 0.09982018084084802,
"volume": 1122.017602618566,
"volume_molar": 6.0329892305060255,
"formula_full": "Na12 P4 H48 C4 O44",
"formula_reduced": "Na3PH12CO11",
"formula_anonymous": "ABC3D11E12",
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"energy_per_atom": -5.631531827232143,
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"updated_at": "2021-11-28T01:36:45.059000Z",
"spacegroup": 14
}
]
}