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{
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{
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"structure_string": "Mn23 C6\n1.0\n0.000000 5.209642 5.209642\n5.209642 0.000000 5.209642\n5.209642 5.209642 0.000000\nMn C\n23 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.382120 0.382120 0.382120 Mn\n0.146359 0.617880 0.617880 Mn\n0.617880 0.146359 0.617880 Mn\n0.617880 0.617880 0.146359 Mn\n0.382120 0.853641 0.382120 Mn\n0.382120 0.382120 0.853641 Mn\n0.853641 0.382120 0.382120 Mn\n0.617880 0.617880 0.617880 Mn\n0.000000 0.334062 0.000000 Mn\n0.334062 0.000000 0.000000 Mn\n0.000000 0.334062 0.665938 Mn\n0.665938 0.000000 0.334062 Mn\n0.334062 0.000000 0.665938 Mn\n0.000000 0.000000 0.334062 Mn\n0.665938 0.334062 0.000000 Mn\n0.000000 0.665938 0.334062 Mn\n0.000000 0.000000 0.665938 Mn\n0.334062 0.665938 0.000000 Mn\n0.665938 0.000000 0.000000 Mn\n0.000000 0.665938 0.000000 Mn\n0.275461 0.724539 0.275461 C\n0.275461 0.724539 0.724539 C\n0.724539 0.275461 0.275461 C\n0.724539 0.724539 0.275461 C\n0.275461 0.275461 0.724539 C\n0.724539 0.275461 0.724539 C\n",
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{
"id": "mp-1035757",
"created_at": "2022-09-04T14:39:26.269892Z",
"structure_string": "Mg14 Fe1 Cu1 O16\n1.0\n8.570443 0.000000 0.000000\n0.000000 8.570443 0.000000\n0.000000 0.000000 4.248131\nMg Fe Cu O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.253354 0.500000 Mg\n0.000000 0.746646 0.500000 Mg\n0.500000 0.252819 0.500000 Mg\n0.500000 0.747181 0.500000 Mg\n0.253354 0.000000 0.500000 Mg\n0.252819 0.500000 0.500000 Mg\n0.746646 0.000000 0.500000 Mg\n0.747181 0.500000 0.500000 Mg\n0.254590 0.254590 0.000000 Mg\n0.254590 0.745410 0.000000 Mg\n0.745410 0.254590 0.000000 Mg\n0.745410 0.745410 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Cu\n0.244721 0.000000 0.000000 O\n0.237179 0.500000 0.000000 O\n0.755279 0.000000 0.000000 O\n0.762821 0.500000 0.000000 O\n0.249436 0.249436 0.500000 O\n0.249436 0.750564 0.500000 O\n0.750564 0.249436 0.500000 O\n0.750564 0.750564 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.244721 0.000000 O\n0.000000 0.755279 0.000000 O\n0.500000 0.237179 0.000000 O\n0.500000 0.762821 0.000000 O\n",
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"formula_full": "Mg14 Fe1 Cu1 O16",
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{
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"created_at": "2022-09-04T14:42:07.287942Z",
"structure_string": "Li4 Fe4 C8 O24\n1.0\n2.349516 -5.276647 0.001480\n4.698586 4.229777 3.931804\n-4.698656 -2.093175 7.866554\nLi Fe C O\n4 4 8 24\ndirect\n0.999911 0.000021 0.500010 Li\n0.500081 0.499973 0.749991 Li\n0.999909 0.000013 0.000012 Li\n0.500084 0.499983 0.249981 Li\n0.000044 0.500139 0.499978 Fe\n0.499871 0.999999 0.750051 Fe\n0.000167 0.500064 0.999903 Fe\n0.499915 0.999950 0.250035 Fe\n0.011650 0.744058 0.749990 C\n0.511791 0.244279 0.999958 C\n0.011645 0.744065 0.249979 C\n0.511789 0.244282 0.499954 C\n0.988157 0.255835 0.250071 C\n0.488441 0.755807 0.499981 C\n0.988147 0.255839 0.750071 C\n0.488440 0.755810 0.999989 C\n0.998571 0.264145 0.612335 O\n0.498747 0.763989 0.862220 O\n0.998568 0.264118 0.112323 O\n0.498749 0.764002 0.362203 O\n0.652447 0.387206 0.437735 O\n0.152555 0.886963 0.687776 O\n0.652451 0.387212 0.937751 O\n0.152555 0.886971 0.187765 O\n0.876736 0.611539 0.674507 O\n0.377023 0.111696 0.924387 O\n0.876725 0.611545 0.174513 O\n0.377005 0.111703 0.424381 O\n0.122927 0.388370 0.325651 O\n0.623304 0.888366 0.575472 O\n0.122922 0.388366 0.825672 O\n0.623294 0.888373 0.075494 O\n0.347505 0.612918 0.562162 O\n0.847486 0.112858 0.812303 O\n0.347517 0.612919 0.062183 O\n0.847494 0.112855 0.312299 O\n0.001324 0.735963 0.387745 O\n0.501371 0.235923 0.637702 O\n0.001316 0.735948 0.887751 O\n0.501370 0.235936 0.137716 O\n",
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{
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"structure_string": "Fe10 Si2 B4\n1.0\n5.509511 0.000000 0.000000\n0.000000 5.509511 0.000000\n-2.754756 -2.754756 5.139769\nFe Si B\n10 2 4\ndirect\n0.032668 0.532668 0.727609 Fe\n0.694941 0.194941 0.727609 Fe\n0.194941 0.032668 0.727609 Fe\n0.532668 0.694941 0.727609 Fe\n0.967332 0.467332 0.272391 Fe\n0.305059 0.805059 0.272391 Fe\n0.805059 0.967332 0.272391 Fe\n0.467332 0.305059 0.272391 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.500000 Si\n0.750000 0.750000 0.500000 Si\n0.380447 0.880447 0.000000 B\n0.619553 0.119553 0.000000 B\n0.119553 0.380447 0.000000 B\n0.880447 0.619553 0.000000 B\n",
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{
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{
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{
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{
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