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{
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{
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{
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{
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{
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{
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{
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"structure_string": "Mg1 H4 C4 S4 O12 F12\n1.0\n-5.717729 -0.088112 0.956004\n0.332029 0.082966 -8.451894\n-0.189433 -11.423359 0.104722\nMg H C S O F\n1 4 4 4 12 12\ndirect\n0.034693 0.370385 0.203521 Mg\n0.495720 0.510762 0.742124 H\n0.992973 0.009294 0.755102 H\n0.514167 0.486049 0.284526 H\n0.059335 0.070441 0.173552 H\n0.393504 0.729837 0.941170 C\n0.908638 0.234919 0.562243 C\n0.574759 0.256825 0.060108 C\n0.089190 0.752584 0.437469 C\n0.558677 0.761532 0.795628 S\n0.062584 0.260211 0.706192 S\n0.477825 0.226181 0.224015 S\n0.911799 0.711133 0.300351 S\n0.628558 0.593902 0.775607 O\n0.127453 0.091300 0.719643 O\n0.385988 0.400158 0.245301 O\n0.912965 0.866725 0.250927 O\n0.774634 0.875509 0.818189 O\n0.281840 0.372954 0.684006 O\n0.134119 0.177545 0.145470 O\n0.682827 0.621906 0.344553 O\n0.394740 0.792679 0.712511 O\n0.893680 0.291607 0.793138 O\n0.722705 0.273786 0.275059 O\n0.042499 0.608653 0.227594 O\n0.275487 0.849236 0.960848 F\n0.806550 0.362126 0.547599 F\n0.613875 0.115718 0.017833 F\n0.183545 0.623933 0.462406 F\n0.236758 0.587264 0.937145 F\n0.742460 0.098205 0.563387 F\n0.790725 0.367843 0.056620 F\n0.264710 0.882983 0.422880 F\n0.543395 0.726490 0.028191 F\n0.065871 0.227369 0.473328 F\n0.435685 0.316713 0.990016 F\n0.947566 0.780954 0.528419 F\n",
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},
{
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"created_at": "2022-09-04T14:40:26.298800Z",
"structure_string": "Hf1 Mg14 Zr1\n1.0\n6.449967 0.085339 0.000000\n-3.151078 5.457826 0.000000\n0.000000 0.000000 10.234646\nHf Mg Zr\n1 14 1\ndirect\n0.167867 0.833933 0.125000 Hf\n0.166099 0.333049 0.625000 Mg\n0.166026 0.833012 0.625000 Mg\n0.665117 0.332574 0.125000 Mg\n0.666662 0.333405 0.625000 Mg\n0.665117 0.832542 0.125000 Mg\n0.666662 0.833255 0.625000 Mg\n0.332269 0.166058 0.374401 Mg\n0.332269 0.166058 0.875599 Mg\n0.332269 0.666212 0.374401 Mg\n0.332269 0.666212 0.875599 Mg\n0.834966 0.167483 0.374152 Mg\n0.834966 0.167483 0.875848 Mg\n0.835217 0.667609 0.373769 Mg\n0.835217 0.667609 0.876231 Mg\n0.167010 0.333505 0.125000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Zr"
],
"chemical_system": "Hf-Mg-Zr",
"density": 2.7900540807870824,
"density_atomic": 0.04407223378532858,
"volume": 363.04036863514546,
"volume_molar": 13.664251259269594,
"formula_full": "Hf1 Mg14 Zr1",
"formula_reduced": "HfMg14Zr",
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"updated_at": "2021-11-28T01:35:00.035000Z",
"spacegroup": 38
},
{
"id": "mp-377",
"created_at": "2022-09-04T14:40:26.302486Z",
"structure_string": "Lu1 Rh1\n1.0\n3.357307 0.000000 0.000000\n0.000000 3.357307 0.000000\n0.000000 0.000000 3.357307\nLu Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Rh\n",
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"chemical_system": "Lu-Rh",
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"volume": 37.84192040473962,
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"formula_full": "Lu1 Rh1",
"formula_reduced": "LuRh",
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"updated_at": "2021-11-28T01:34:50.528000Z",
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}
]
}