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{
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{
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{
"id": "mp-1179112",
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"structure_string": "Sr4 Ru4 O12\n1.0\n5.199519 0.000000 0.000000\n0.000000 5.210166 0.000000\n0.000000 0.000000 14.282888\nSr Ru O\n4 4 12\ndirect\n0.499647 0.519483 0.250000 Sr\n0.000353 0.019483 0.250000 Sr\n0.500353 0.480517 0.750000 Sr\n0.999647 0.980517 0.750000 Sr\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.502121 0.018724 0.250000 O\n0.997879 0.518724 0.250000 O\n0.497879 0.981276 0.750000 O\n0.002121 0.481276 0.750000 O\n0.250806 0.750250 0.008741 O\n0.249194 0.250250 0.491259 O\n0.749194 0.249750 0.508741 O\n0.750806 0.749750 0.991259 O\n0.749194 0.249750 0.991259 O\n0.750806 0.749750 0.508741 O\n0.250806 0.750250 0.491259 O\n0.249194 0.250250 0.008741 O\n",
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"formula_full": "Sr4 Ru4 O12",
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{
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"structure_string": "Li2 Cr8 P6 O24\n1.0\n-3.432693 3.432693 9.566209\n3.432693 -3.432693 9.566209\n3.432693 3.432693 -9.566209\nLi Cr P O\n2 8 6 24\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.375000 0.372417 0.497417 Cr\n0.775298 0.775298 0.000000 Cr\n0.627583 0.125000 0.002583 Cr\n0.875000 0.877583 0.502583 Cr\n0.224702 0.224702 0.000000 Cr\n0.525298 0.025298 0.500000 Cr\n0.974702 0.474702 0.500000 Cr\n0.122417 0.625000 0.997417 Cr\n0.000000 0.000000 0.000000 P\n0.875000 0.480867 0.105867 P\n0.375000 0.769133 0.894133 P\n0.230867 0.125000 0.605867 P\n0.750000 0.250000 0.500000 P\n0.519133 0.625000 0.394133 P\n0.231264 0.092899 0.240499 O\n0.674852 0.341880 0.806800 O\n0.075148 0.381948 0.167028 O\n0.618052 0.785080 0.693200 O\n0.278748 0.559855 0.715721 O\n0.471252 0.686974 0.781108 O\n0.905866 0.690145 0.218892 O\n0.844134 0.563026 0.284279 O\n0.091880 0.924852 0.306800 O\n0.907101 0.147600 0.138365 O\n0.440145 0.155866 0.718892 O\n0.214920 0.908120 0.832972 O\n0.535080 0.868052 0.193200 O\n0.313026 0.094134 0.784279 O\n0.740766 0.102400 0.259501 O\n0.897600 0.157101 0.638365 O\n0.852400 0.990766 0.759501 O\n0.131948 0.325148 0.667028 O\n0.658120 0.464920 0.332972 O\n0.518736 0.259234 0.361635 O\n0.842899 0.481264 0.740499 O\n0.309855 0.528748 0.215721 O\n0.436974 0.721252 0.281108 O\n0.009234 0.768736 0.861635 O\n",
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"formula_full": "Li2 Cr8 P6 O24",
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{
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"created_at": "2022-09-04T14:48:30.916404Z",
"structure_string": "Mg1 Mn6 O4 F8\n1.0\n-5.293561 0.318302 -0.055040\n-0.416397 4.698951 -6.507526\n0.287881 -4.656235 -3.236412\nMg Mn O F\n1 6 4 8\ndirect\n0.027146 0.167611 0.699721 Mg\n0.498155 0.997431 0.522333 Mn\n0.530613 0.670141 0.141372 Mn\n0.502770 0.353522 0.823060 Mn\n0.962697 0.685326 0.658585 Mn\n0.041102 0.366548 0.289225 Mn\n0.909060 0.918995 0.136531 Mn\n0.748437 0.761088 0.897406 O\n0.731819 0.787431 0.404459 O\n0.687713 0.455281 0.125032 O\n0.314822 0.236580 0.539439 O\n0.846368 0.409249 0.642882 F\n0.840027 0.121033 0.372398 F\n0.733257 0.106941 0.855640 F\n0.249608 0.586852 0.892768 F\n0.304968 0.890742 0.181427 F\n0.193215 0.598244 0.404894 F\n0.197016 0.237088 0.005685 F\n0.167314 0.924894 0.688394 F\n",
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{
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"created_at": "2022-09-04T14:48:15.722393Z",
"structure_string": "Ca2 Al4\n1.0\n0.000000 4.008064 4.008064\n4.008064 0.000000 4.008064\n4.008064 4.008064 0.000000\nCa Al\n2 4\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ca\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n",
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{
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"structure_string": "Li1 La4 Al1 O8\n1.0\n2.691256 -6.348009 0.000000\n2.691256 6.348009 0.000000\n0.000000 0.000000 5.394933\nLi La Al O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.362896 0.637104 0.000000 La\n0.863871 0.136129 0.500000 La\n0.136129 0.863871 0.500000 La\n0.637104 0.362896 0.000000 La\n0.500000 0.500000 0.500000 Al\n0.180361 0.819639 0.000000 O\n0.670408 0.329592 0.500000 O\n0.329592 0.670408 0.500000 O\n0.819639 0.180361 0.000000 O\n0.257393 0.257393 0.260832 O\n0.742607 0.742607 0.739168 O\n0.257393 0.257393 0.739168 O\n0.742607 0.742607 0.260832 O\n",
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{
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{
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{
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"structure_string": "Cs6 Zn2 Cl10\n1.0\n-4.706591 4.706591 7.381454\n4.706591 -4.706591 7.381454\n4.706591 4.706591 -7.381454\nCs Zn Cl\n6 2 10\ndirect\n0.165866 0.665866 0.831732 Cs\n0.334134 0.165866 0.500000 Cs\n0.250000 0.250000 0.000000 Cs\n0.834134 0.334134 0.168268 Cs\n0.750000 0.750000 0.000000 Cs\n0.665866 0.834134 0.500000 Cs\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.980560 0.203748 0.500000 Cl\n0.703748 0.480560 0.500000 Cl\n0.019440 0.796252 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.203748 0.703748 0.223188 Cl\n0.796252 0.296252 0.776812 Cl\n0.480560 0.980560 0.776812 Cl\n0.296252 0.519440 0.500000 Cl\n0.519440 0.019440 0.223188 Cl\n0.500000 0.500000 0.000000 Cl\n",
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{
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"structure_string": "Sr10 Ge6\n1.0\n-4.087334 4.087334 7.981189\n4.087334 -4.087334 7.981189\n4.087334 4.087334 -7.981189\nSr Ge\n10 6\ndirect\n0.037525 0.180893 0.500000 Sr\n0.537525 0.037525 0.856632 Sr\n0.180893 0.680893 0.143368 Sr\n0.462475 0.962475 0.143368 Sr\n0.680893 0.537525 0.500000 Sr\n0.962475 0.819107 0.500000 Sr\n0.319107 0.462475 0.500000 Sr\n0.819107 0.319107 0.856632 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.113726 0.613726 0.727453 Ge\n0.613726 0.886274 0.500000 Ge\n0.386274 0.113726 0.500000 Ge\n0.886274 0.386274 0.272547 Ge\n0.750000 0.750000 0.000000 Ge\n0.250000 0.250000 0.000000 Ge\n",
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"formula_full": "Sr10 Ge6",
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},
{
"id": "mp-1037357",
"created_at": "2022-09-04T14:48:16.271969Z",
"structure_string": "Mg30 Fe1 Cu1 O32\n1.0\n8.534529 0.000000 0.000000\n0.000000 8.534529 0.000000\n0.000000 0.000000 8.524841\nMg Fe Cu O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254675 0.254675 0.000000 Mg\n0.745325 0.254675 0.000000 Mg\n0.254675 0.745325 0.000000 Mg\n0.745325 0.745325 0.000000 Mg\n0.250951 0.250951 0.500000 Mg\n0.749049 0.250951 0.500000 Mg\n0.250951 0.749049 0.500000 Mg\n0.749049 0.749049 0.500000 Mg\n0.252564 0.000000 0.251318 Mg\n0.747436 0.000000 0.251318 Mg\n0.252765 0.500000 0.248162 Mg\n0.747235 0.500000 0.248162 Mg\n0.252564 0.000000 0.748682 Mg\n0.747436 0.000000 0.748682 Mg\n0.252765 0.500000 0.751838 Mg\n0.747235 0.500000 0.751838 Mg\n0.000000 0.252564 0.251318 Mg\n0.500000 0.252765 0.248162 Mg\n0.000000 0.747436 0.251318 Mg\n0.500000 0.747235 0.248162 Mg\n0.000000 0.252564 0.748682 Mg\n0.500000 0.252765 0.751838 Mg\n0.000000 0.747436 0.748682 Mg\n0.500000 0.747235 0.751838 Mg\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.245784 O\n0.500000 0.000000 0.250592 O\n0.000000 0.500000 0.250592 O\n0.500000 0.500000 0.261712 O\n0.000000 0.000000 0.754216 O\n0.500000 0.000000 0.749408 O\n0.000000 0.500000 0.749408 O\n0.500000 0.500000 0.738288 O\n0.249104 0.249104 0.249349 O\n0.750896 0.249104 0.249349 O\n0.249104 0.750896 0.249349 O\n0.750896 0.750896 0.249349 O\n0.249104 0.249104 0.750651 O\n0.750896 0.249104 0.750651 O\n0.249104 0.750896 0.750651 O\n0.750896 0.750896 0.750651 O\n0.243362 0.000000 0.000000 O\n0.756638 0.000000 0.000000 O\n0.236527 0.500000 0.000000 O\n0.763473 0.500000 0.000000 O\n0.248070 0.000000 0.500000 O\n0.751930 0.000000 0.500000 O\n0.247791 0.500000 0.500000 O\n0.752209 0.500000 0.500000 O\n0.000000 0.243362 0.000000 O\n0.500000 0.236527 0.000000 O\n0.000000 0.756638 0.000000 O\n0.500000 0.763473 0.000000 O\n0.000000 0.248070 0.500000 O\n0.500000 0.247791 0.500000 O\n0.000000 0.751930 0.500000 O\n0.500000 0.752209 0.500000 O\n",
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"elements": [
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],
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"updated_at": "2021-11-28T01:39:59.206000Z",
"spacegroup": 123
}
]
}