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{
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"spacegroup": 1
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{
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"structure_string": "Sr2 Ce1 Y1 Cu2 Ru1 O10\n1.0\n-1.930330 1.930330 14.643466\n1.930330 -1.930330 14.643466\n1.930330 1.930330 -14.643466\nSr Ce Y Cu Ru O\n2 1 1 2 1 10\ndirect\n0.419940 0.419940 0.000000 Sr\n0.576907 0.576907 0.000000 Sr\n0.707114 0.707114 0.000000 Ce\n0.294667 0.294667 0.000000 Y\n0.855498 0.855498 0.000000 Cu\n0.143898 0.143898 0.000000 Cu\n0.999971 0.999971 0.000000 Ru\n0.931076 0.931076 0.000000 O\n0.069789 0.069789 0.000000 O\n0.847475 0.347475 0.500000 O\n0.347475 0.847475 0.500000 O\n0.153201 0.653201 0.500000 O\n0.653201 0.153201 0.500000 O\n0.749414 0.249414 0.500000 O\n0.249414 0.749414 0.500000 O\n0.000480 0.500480 0.500000 O\n0.500480 0.000480 0.500000 O\n",
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{
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"structure_string": "Re2 C8 S8 N16 Cl16 O6\n1.0\n5.567966 -7.509924 0.000000\n5.567966 7.509924 0.000000\n0.000000 0.000000 16.921671\nRe C S N Cl O\n2 8 8 16 16 6\ndirect\n0.849650 0.150350 0.750000 Re\n0.150350 0.849650 0.250000 Re\n0.984797 0.664424 0.555121 C\n0.015203 0.335576 0.444879 C\n0.015203 0.335576 0.055121 C\n0.335576 0.015203 0.944879 C\n0.984797 0.664424 0.944879 C\n0.664424 0.984797 0.055121 C\n0.664424 0.984797 0.444879 C\n0.335576 0.015203 0.555121 C\n0.602998 0.632545 0.553406 S\n0.397002 0.367455 0.446594 S\n0.397002 0.367455 0.053406 S\n0.367455 0.397002 0.946594 S\n0.602998 0.632545 0.946594 S\n0.632545 0.602998 0.053406 S\n0.632545 0.602998 0.446594 S\n0.367455 0.397002 0.553406 S\n0.011254 0.313335 0.516931 N\n0.988746 0.686665 0.483069 N\n0.988746 0.686665 0.016931 N\n0.686665 0.988746 0.983069 N\n0.011254 0.313335 0.983069 N\n0.313335 0.011254 0.016931 N\n0.313335 0.011254 0.483069 N\n0.686665 0.988746 0.516931 N\n0.975075 0.640342 0.627254 N\n0.024925 0.359658 0.372746 N\n0.024925 0.359658 0.127254 N\n0.359658 0.024925 0.872746 N\n0.975075 0.640342 0.872746 N\n0.640342 0.975075 0.127254 N\n0.640342 0.975075 0.372746 N\n0.359658 0.024925 0.627254 N\n0.741797 0.258203 0.654012 Cl\n0.258203 0.741797 0.345988 Cl\n0.258203 0.741797 0.154012 Cl\n0.741797 0.258203 0.845988 Cl\n0.660840 0.339160 0.095753 Cl\n0.339160 0.660840 0.904247 Cl\n0.339160 0.660840 0.595753 Cl\n0.660840 0.339160 0.404247 Cl\n0.958458 0.041542 0.654639 Cl\n0.041542 0.958458 0.345361 Cl\n0.041542 0.958458 0.154639 Cl\n0.958458 0.041542 0.845361 Cl\n0.054979 0.356684 0.750000 Cl\n0.945021 0.643316 0.250000 Cl\n0.643316 0.945021 0.750000 Cl\n0.356684 0.054979 0.250000 Cl\n0.491598 0.508402 0.750000 O\n0.508402 0.491598 0.250000 O\n0.635427 0.563384 0.750000 O\n0.364573 0.436616 0.250000 O\n0.436616 0.364573 0.750000 O\n0.563384 0.635427 0.250000 O\n",
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"formula_full": "Re2 C8 S8 N16 Cl16 O6",
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{
"id": "mp-728733",
"created_at": "2022-09-04T14:45:36.212933Z",
"structure_string": "Co2 H36 C8 N16 Cl8 O8\n1.0\n11.411476 0.000000 0.000000\n0.000000 6.501369 0.000000\n0.000000 3.761606 11.332814\nCo H C N Cl O\n2 36 8 16 8 8\ndirect\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.788610 0.217029 0.494476 H\n0.711390 0.217029 0.994476 H\n0.211390 0.782971 0.505524 H\n0.288610 0.782971 0.005524 H\n0.895384 0.363135 0.503203 H\n0.604616 0.363135 0.003203 H\n0.104616 0.636865 0.496797 H\n0.395384 0.636865 0.996797 H\n0.709593 0.205165 0.788498 H\n0.790407 0.205165 0.288498 H\n0.290407 0.794835 0.211502 H\n0.209593 0.794835 0.711502 H\n0.823900 0.182831 0.692529 H\n0.676100 0.182831 0.192529 H\n0.176100 0.817169 0.307471 H\n0.323900 0.817169 0.807471 H\n0.006718 0.168282 0.742113 H\n0.493282 0.168282 0.242113 H\n0.993282 0.831718 0.257887 H\n0.506718 0.831718 0.757887 H\n0.267940 0.263535 0.861628 H\n0.232060 0.263535 0.361628 H\n0.732060 0.736465 0.138372 H\n0.767940 0.736465 0.638372 H\n0.193175 0.224989 0.739242 H\n0.306825 0.224989 0.239242 H\n0.806825 0.775011 0.260758 H\n0.693175 0.775011 0.760758 H\n0.157333 0.315317 0.014443 H\n0.342667 0.315317 0.514443 H\n0.842667 0.684683 0.985557 H\n0.657333 0.684683 0.485557 H\n0.000332 0.294530 0.009072 H\n0.499668 0.294530 0.509072 H\n0.999668 0.705470 0.990928 H\n0.500332 0.705470 0.490928 H\n0.875229 0.227432 0.848825 C\n0.624771 0.227432 0.348825 C\n0.124771 0.772568 0.151175 C\n0.375229 0.772568 0.651175 C\n0.089211 0.251950 0.872085 C\n0.410789 0.251950 0.372085 C\n0.910789 0.748050 0.127915 C\n0.589211 0.748050 0.627915 C\n0.797355 0.201384 0.771109 N\n0.702645 0.201384 0.271109 N\n0.202645 0.798616 0.228891 N\n0.297355 0.798616 0.728891 N\n0.991626 0.215353 0.815340 N\n0.508374 0.215353 0.315340 N\n0.008374 0.784647 0.184660 N\n0.491626 0.784647 0.684660 N\n0.191866 0.238895 0.822298 N\n0.308134 0.238895 0.322298 N\n0.808134 0.761105 0.177702 N\n0.691866 0.761105 0.677702 N\n0.081468 0.296391 0.973097 N\n0.418532 0.296391 0.473097 N\n0.918532 0.703609 0.026903 N\n0.581468 0.703609 0.526903 N\n0.999333 0.796439 0.704676 Cl\n0.500667 0.796439 0.204676 Cl\n0.000667 0.203561 0.295324 Cl\n0.499333 0.203561 0.795324 Cl\n0.138049 0.270658 0.544930 Cl\n0.361951 0.270658 0.044930 Cl\n0.861951 0.729342 0.455070 Cl\n0.638049 0.729342 0.955070 Cl\n0.868037 0.211155 0.531922 O\n0.631963 0.211155 0.031922 O\n0.131963 0.788845 0.468078 O\n0.368037 0.788845 0.968078 O\n0.849657 0.258143 0.944955 O\n0.650343 0.258143 0.444955 O\n0.150343 0.741857 0.055045 O\n0.349657 0.741857 0.555045 O\n",
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{
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"structure_string": "Mg1 Ti4 Mn1 Zn1 Ni1 O12\n1.0\n5.121593 0.000000 0.000000\n-2.556574 4.928930 0.000000\n-0.001429 -2.655998 8.473112\nMg Ti Mn Zn Ni O\n1 4 1 1 1 12\ndirect\n0.532463 0.884519 0.179989 Mg\n0.714723 0.864263 0.570720 Ti\n0.219680 0.360066 0.073967 Ti\n0.783426 0.635616 0.931299 Ti\n0.282503 0.140793 0.424074 Ti\n0.462453 0.106045 0.819574 Mn\n0.039867 0.401682 0.677665 Zn\n0.972837 0.619889 0.324670 Ni\n0.508801 0.457549 0.281365 O\n0.994226 0.952191 0.780868 O\n0.036536 0.262132 0.472236 O\n0.540528 0.756946 0.981301 O\n0.064687 0.625702 0.114116 O\n0.562414 0.125650 0.606331 O\n0.993090 0.040477 0.218403 O\n0.492536 0.546549 0.717771 O\n0.463811 0.236134 0.027586 O\n0.959101 0.735582 0.523016 O\n0.433688 0.870013 0.386632 O\n0.942630 0.378200 0.888420 O\n",
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{
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"structure_string": "Na4 Fe4 H16 S4 O24 F4\n1.0\n-5.454171 0.001086 -5.050860\n5.301696 -0.003464 -9.528658\n0.002644 -7.508830 -0.001253\nNa Fe H S O F\n4 4 16 4 24 4\ndirect\n0.581340 0.714150 0.749859 Na\n0.081000 0.212779 0.749836 Na\n0.418680 0.285833 0.250176 Na\n0.918966 0.787267 0.250169 Na\n0.999897 0.500076 0.499857 Fe\n0.999938 0.500086 0.000147 Fe\n0.500041 0.000076 0.500087 Fe\n0.499921 0.999910 0.000028 Fe\n0.842414 0.033943 0.094089 H\n0.341309 0.535515 0.090939 H\n0.157563 0.965889 0.594036 H\n0.658897 0.464442 0.591105 H\n0.157629 0.966052 0.905915 H\n0.658784 0.464454 0.909064 H\n0.842376 0.034108 0.405982 H\n0.341221 0.535526 0.408903 H\n0.868577 0.937746 0.568909 H\n0.369187 0.437148 0.568160 H\n0.131302 0.062112 0.068941 H\n0.630638 0.562884 0.068092 H\n0.131382 0.062241 0.431105 H\n0.630903 0.562856 0.431799 H\n0.868717 0.937874 0.931065 H\n0.369424 0.437108 0.931949 H\n0.582132 0.229234 0.750068 S\n0.082251 0.730624 0.749829 S\n0.417824 0.770770 0.249941 S\n0.917764 0.269355 0.250171 S\n0.533985 0.373025 0.749877 O\n0.039415 0.874579 0.749669 O\n0.465991 0.626980 0.249981 O\n0.960569 0.125401 0.250334 O\n0.782803 0.179729 0.750305 O\n0.282828 0.677887 0.750049 O\n0.217154 0.820300 0.249677 O\n0.717188 0.322107 0.249966 O\n0.493440 0.188541 0.587872 O\n0.991741 0.691818 0.587595 O\n0.506764 0.811448 0.087785 O\n0.008520 0.308123 0.088125 O\n0.506550 0.811383 0.412138 O\n0.008241 0.308169 0.412420 O\n0.493165 0.188600 0.912208 O\n0.991449 0.691882 0.911867 O\n0.800159 0.961912 0.043738 O\n0.301095 0.461627 0.044753 O\n0.200196 0.037812 0.543668 O\n0.699274 0.538248 0.544668 O\n0.199840 0.038102 0.956251 O\n0.698918 0.538375 0.955255 O\n0.799782 0.962165 0.456336 O\n0.300758 0.461756 0.455317 O\n0.558529 0.921118 0.749979 F\n0.040664 0.426023 0.750300 F\n0.441489 0.078861 0.249947 F\n0.959416 0.573970 0.249699 F\n",
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{
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"updated_at": "2021-11-28T01:37:14.072000Z",
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},
{
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}
]
}