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{
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"Si",
"H",
"C",
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],
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"formula_full": "Cu4 Si8 H72 C36 O8",
"formula_reduced": "CuSi2H18C9O2",
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"energy": -711.50379292,
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"updated_at": "2021-11-28T01:36:53.313000Z",
"spacegroup": 15
},
{
"id": "mp-685444",
"created_at": "2022-09-04T14:45:29.545622Z",
"structure_string": "Mg11 Fe30 O56\n1.0\n-6.019515 0.000000 0.000000\n-3.009126 -5.218674 0.000000\n-3.004172 -1.689466 34.414167\nMg Fe O\n11 30 56\ndirect\n0.571663 0.570794 0.786206 Mg\n0.071290 0.570746 0.786229 Mg\n0.000156 0.000348 0.499986 Mg\n0.499509 0.000345 0.499987 Mg\n0.785736 0.285936 0.642922 Mg\n0.285427 0.285904 0.642920 Mg\n0.714345 0.714481 0.356966 Mg\n0.428557 0.428535 0.214258 Mg\n0.214216 0.714466 0.356952 Mg\n0.140589 0.145140 0.070127 Mg\n0.928386 0.428411 0.214196 Mg\n0.501682 0.000528 0.997337 Fe\n0.549535 0.062324 0.838599 Fe\n0.361395 0.347984 0.930352 Fe\n0.361674 0.858730 0.930444 Fe\n0.214586 0.713841 0.857392 Fe\n0.261987 0.778633 0.697433 Fe\n0.850503 0.858656 0.930371 Fe\n0.070674 0.072805 0.785841 Fe\n0.976224 0.493131 0.554513 Fe\n0.876038 0.372209 0.875963 Fe\n0.927685 0.430053 0.714630 Fe\n0.785947 0.785244 0.642866 Fe\n0.690537 0.207567 0.411456 Fe\n0.643272 0.142084 0.571374 Fe\n0.594732 0.079147 0.731230 Fe\n0.500025 0.499758 0.500177 Fe\n0.309370 0.792759 0.588593 Fe\n0.357140 0.857194 0.428494 Fe\n0.405180 0.921457 0.268655 Fe\n0.214060 0.215031 0.356888 Fe\n0.114860 0.631259 0.126397 Fe\n0.071347 0.571487 0.285562 Fe\n0.023746 0.506911 0.445505 Fe\n0.929048 0.927705 0.214306 Fe\n0.737987 0.221465 0.302541 Fe\n0.785590 0.286156 0.142806 Fe\n0.645184 0.637785 0.069880 Fe\n0.452422 0.936897 0.159397 Fe\n0.645113 0.148369 0.069714 Fe\n0.169841 0.656504 0.017329 Fe\n0.664454 0.712263 0.960992 O\n0.535127 0.035633 0.894026 O\n0.664212 0.161442 0.960838 O\n0.215549 0.161386 0.961085 O\n0.515024 0.546694 0.893224 O\n0.381511 0.415453 0.821688 O\n0.045596 0.546403 0.893211 O\n0.181444 0.678332 0.960626 O\n0.245020 0.757001 0.752919 O\n0.378712 0.889938 0.820970 O\n0.910553 0.889852 0.820995 O\n0.046930 0.013470 0.893614 O\n0.232645 0.254406 0.750787 O\n0.095236 0.131014 0.678643 O\n0.762091 0.254330 0.750769 O\n0.897174 0.385629 0.819841 O\n0.959840 0.470328 0.610081 O\n0.094268 0.604273 0.678214 O\n0.623349 0.604180 0.678204 O\n0.760759 0.727772 0.750633 O\n0.948141 0.967362 0.607831 O\n0.810260 0.843933 0.535658 O\n0.476712 0.967235 0.607817 O\n0.611472 0.101140 0.675854 O\n0.673576 0.185729 0.467174 O\n0.808691 0.317179 0.535547 O\n0.475835 0.440759 0.607458 O\n0.338683 0.317101 0.535534 O\n0.661153 0.682311 0.464865 O\n0.524580 0.558197 0.392717 O\n0.191651 0.682246 0.464849 O\n0.326177 0.814386 0.533189 O\n0.387939 0.900002 0.324219 O\n0.522746 0.032029 0.392337 O\n0.052983 0.031951 0.392319 O\n0.189562 0.156370 0.464400 O\n0.375458 0.396969 0.321859 O\n0.238922 0.272109 0.249922 O\n0.905619 0.396938 0.321868 O\n0.040529 0.528956 0.389931 O\n0.237516 0.745613 0.249581 O\n0.101623 0.613223 0.181873 O\n0.903794 0.870808 0.321439 O\n0.767569 0.745500 0.249571 O\n0.090234 0.109653 0.178876 O\n0.949950 0.983454 0.107182 O\n0.620140 0.110068 0.179213 O\n0.806782 0.325532 0.043797 O\n0.755257 0.243056 0.247077 O\n0.951357 0.458279 0.107590 O\n0.616873 0.585957 0.178386 O\n0.476770 0.456909 0.107341 O\n0.807617 0.827920 0.036723 O\n0.334101 0.827759 0.036113 O\n0.469684 0.962965 0.103594 O\n0.334008 0.302543 0.036000 O\n",
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},
{
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"created_at": "2022-09-04T14:43:09.399730Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n-0.000012 0.000682 4.799315\n10.414403 -0.000004 -0.000025\n-0.000004 6.243501 0.000883\nLi Fe P O\n4 4 4 16\ndirect\n0.494999 0.212857 0.750001 Li\n0.994994 0.287142 0.250003 Li\n0.005006 0.712857 0.749997 Li\n0.505001 0.787142 0.250000 Li\n0.999999 0.999999 0.499994 Fe\n0.499994 0.500000 0.000008 Fe\n0.000003 0.000002 0.999999 Fe\n0.500008 0.500005 0.499999 Fe\n0.420439 0.095988 0.249974 P\n0.920448 0.404009 0.749974 P\n0.079552 0.595990 0.250026 P\n0.579560 0.904011 0.750026 P\n0.712017 0.044742 0.749972 O\n0.212020 0.455263 0.249976 O\n0.787978 0.544737 0.750024 O\n0.287983 0.955258 0.250027 O\n0.745948 0.087705 0.249957 O\n0.245962 0.412287 0.749962 O\n0.754038 0.587713 0.250037 O\n0.254051 0.912295 0.750041 O\n0.302077 0.160109 0.045772 O\n0.302200 0.160091 0.454319 O\n0.802187 0.339904 0.954316 O\n0.802084 0.339895 0.545771 O\n0.197810 0.660096 0.045687 O\n0.197917 0.660104 0.454228 O\n0.697802 0.839908 0.545681 O\n0.697922 0.839891 0.954228 O\n",
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],
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"spacegroup": 62
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{
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