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{
"id": "mp-16435",
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{
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"structure_string": "Fe8 C8 O28\n1.0\n7.740084 0.000000 0.000000\n0.000000 8.055200 0.000000\n0.000000 2.887921 11.194443\nFe C O\n8 8 28\ndirect\n0.583484 0.794783 0.627944 Fe\n0.637838 0.362049 0.118278 Fe\n0.862162 0.362049 0.618278 Fe\n0.083484 0.205217 0.872056 Fe\n0.916516 0.794783 0.127944 Fe\n0.137838 0.637951 0.381722 Fe\n0.362162 0.637951 0.881722 Fe\n0.416516 0.205217 0.372056 Fe\n0.894353 0.739758 0.544194 C\n0.394353 0.260242 0.955806 C\n0.925994 0.167127 0.101212 C\n0.425994 0.832873 0.398788 C\n0.574006 0.167127 0.601212 C\n0.074006 0.832873 0.898788 C\n0.605647 0.739758 0.044194 C\n0.105647 0.260242 0.455806 C\n0.824816 0.863815 0.579951 O\n0.532513 0.644676 0.771269 O\n0.440707 0.733173 0.504893 O\n0.798598 0.600827 0.555677 O\n0.298598 0.399173 0.944323 O\n0.833267 0.216536 0.179743 O\n0.940707 0.266827 0.995107 O\n0.032513 0.355324 0.728731 O\n0.545791 0.249004 0.001152 O\n0.503986 0.980139 0.369952 O\n0.003986 0.019861 0.130048 O\n0.324816 0.136185 0.920049 O\n0.666733 0.216536 0.679743 O\n0.045791 0.750996 0.498848 O\n0.954209 0.249004 0.501152 O\n0.333267 0.783464 0.320257 O\n0.675184 0.863815 0.079951 O\n0.996014 0.980139 0.869952 O\n0.496014 0.019861 0.630048 O\n0.454209 0.750996 0.998848 O\n0.967487 0.644676 0.271269 O\n0.059293 0.733173 0.004893 O\n0.166733 0.783464 0.820257 O\n0.701402 0.600827 0.055677 O\n0.201402 0.399173 0.444323 O\n0.559293 0.266827 0.495107 O\n0.467487 0.355324 0.228731 O\n0.175184 0.136185 0.420049 O\n",
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{
"id": "mp-567491",
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"structure_string": "Rb8 Ti4 P12 Se50\n1.0\n0.000000 18.375838 19.192105\n3.516891 0.000000 19.192105\n3.516891 18.375838 0.000000\nRb Ti P Se\n8 4 12 50\ndirect\n0.213089 0.934148 0.933228 Rb\n0.742340 0.968551 0.371384 Rb\n0.315852 0.036911 0.330465 Rb\n0.316772 0.330465 0.036911 Rb\n0.878616 0.332276 0.507660 Rb\n0.919535 0.933228 0.934148 Rb\n0.917724 0.371384 0.968551 Rb\n0.281449 0.507660 0.332276 Rb\n0.345443 0.217757 0.406800 Ti\n0.032243 0.904557 0.220000 Ti\n0.843200 0.220000 0.904557 Ti\n0.030000 0.406800 0.217757 Ti\n0.228759 0.340907 0.342222 P\n0.088113 0.342222 0.340907 P\n0.736932 0.475302 0.928343 P\n0.909093 0.021241 0.161887 P\n0.774698 0.513068 0.390576 P\n0.321657 0.390576 0.513068 P\n0.859424 0.928343 0.475302 P\n0.856417 0.067740 0.792116 P\n0.907778 0.161887 0.021241 P\n0.457884 0.966274 0.393583 P\n0.283726 0.792116 0.067740 P\n0.182260 0.393583 0.966274 P\n0.582853 0.558426 0.157826 Se\n0.357933 0.142067 0.142067 Se\n0.756859 0.021519 0.689179 Se\n0.751501 0.427061 0.439871 Se\n0.100787 0.890288 0.622265 Se\n0.243651 0.138550 0.111227 Se\n0.921149 0.440892 0.574346 Se\n0.188289 0.284115 0.650038 Se\n0.111450 0.006349 0.743429 Se\n0.822939 0.498499 0.868434 Se\n0.138773 0.743429 0.006349 Se\n0.447960 0.596848 0.016115 Se\n0.233885 0.310924 0.802040 Se\n0.074061 0.272370 0.083330 Se\n0.107933 0.892067 0.892067 Se\n0.599962 0.372442 0.061711 Se\n0.228481 0.493141 0.717557 Se\n0.063612 0.574346 0.440892 Se\n0.691574 0.667147 0.549105 Se\n0.532443 0.689179 0.021519 Se\n0.673429 0.330258 0.175519 Se\n0.810129 0.868434 0.498499 Se\n0.455316 0.932039 0.582883 Se\n0.653152 0.802040 0.310924 Se\n0.700895 0.157826 0.558426 Se\n0.255399 0.431531 0.907336 Se\n0.342664 0.844266 0.994601 Se\n0.506571 0.111227 0.138550 Se\n0.317961 0.794684 0.220239 Se\n0.029761 0.582883 0.932039 Se\n0.675654 0.186388 0.328851 Se\n0.877558 0.650038 0.284115 Se\n0.092174 0.549105 0.667147 Se\n0.074481 0.429206 0.576571 Se\n0.667117 0.220239 0.794684 Se\n0.818469 0.994601 0.844266 Se\n0.939076 0.016115 0.596848 Se\n0.977630 0.175939 0.679761 Se\n0.359712 0.149213 0.863340 Se\n0.919742 0.576571 0.429206 Se\n0.820794 0.175519 0.330258 Se\n0.560821 0.717557 0.493141 Se\n0.627735 0.863340 0.149213 Se\n0.386660 0.622265 0.890288 Se\n0.570239 0.083330 0.272370 Se\n0.965885 0.061711 0.372442 Se\n0.381566 0.439871 0.427061 Se\n0.405734 0.907336 0.431531 Se\n0.166670 0.679761 0.175939 Se\n0.809108 0.328851 0.186388 Se\n",
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],
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"formula_full": "Rb8 Ti4 P12 Se50",
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"spacegroup": 43
},
{
"id": "mp-1198261",
"created_at": "2022-09-04T14:45:57.389568Z",
"structure_string": "Zn8 P8 N8 O32\n1.0\n5.400086 -9.353224 0.000000\n5.400086 9.353224 0.000000\n0.000000 0.000000 8.852295\nZn P N O\n8 8 8 32\ndirect\n0.146357 0.325712 0.182897 Zn\n0.179355 0.853643 0.182897 Zn\n0.674288 0.820645 0.182897 Zn\n0.853643 0.674288 0.682897 Zn\n0.820645 0.146357 0.682897 Zn\n0.325712 0.179355 0.682897 Zn\n0.333333 0.666667 0.805197 Zn\n0.666667 0.333333 0.305197 Zn\n0.333333 0.666667 0.195814 P\n0.666667 0.333333 0.695814 P\n0.144813 0.324378 0.806085 P\n0.179565 0.855187 0.806085 P\n0.675622 0.820435 0.806085 P\n0.855187 0.675622 0.306085 P\n0.820435 0.144813 0.306085 P\n0.324378 0.179565 0.306085 P\n0.051953 0.516137 0.488430 N\n0.464184 0.948047 0.488430 N\n0.483863 0.535816 0.488430 N\n0.948047 0.483863 0.988430 N\n0.535816 0.051953 0.988430 N\n0.516137 0.464184 0.988430 N\n0.000000 0.000000 0.978449 N\n0.000000 0.000000 0.478449 N\n0.021429 0.210884 0.709619 O\n0.189455 0.978571 0.709619 O\n0.789116 0.810545 0.709619 O\n0.978571 0.789116 0.209619 O\n0.810545 0.021429 0.209619 O\n0.210884 0.189455 0.209619 O\n0.271795 0.297026 0.800612 O\n0.025231 0.728205 0.800612 O\n0.702974 0.974769 0.800612 O\n0.728205 0.702974 0.300612 O\n0.974769 0.271795 0.300612 O\n0.297026 0.025231 0.300612 O\n0.094679 0.317323 0.970952 O\n0.222644 0.905321 0.970952 O\n0.682677 0.777356 0.970952 O\n0.905321 0.682677 0.470952 O\n0.777356 0.094679 0.470952 O\n0.317323 0.222644 0.470952 O\n0.485112 0.767966 0.257723 O\n0.282854 0.514888 0.257723 O\n0.232034 0.717146 0.257723 O\n0.514888 0.232034 0.757723 O\n0.717146 0.485112 0.757723 O\n0.767966 0.282854 0.757723 O\n0.189579 0.474814 0.742991 O\n0.285235 0.810421 0.742991 O\n0.525186 0.714765 0.742991 O\n0.810421 0.525186 0.242991 O\n0.714765 0.189579 0.242991 O\n0.474814 0.285235 0.242991 O\n0.333333 0.666667 0.023166 O\n0.666667 0.333333 0.523166 O\n",
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{
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"structure_string": "Li4 Cr4 P8 O28\n1.0\n10.026680 0.000000 0.000000\n0.000000 7.043073 0.000000\n0.000000 2.891577 7.566024\nLi Cr P O\n4 4 8 28\ndirect\n0.838099 0.602399 0.950134 Li\n0.661901 0.602399 0.450134 Li\n0.338099 0.397601 0.549866 Li\n0.161901 0.397601 0.049866 Li\n0.392031 0.730932 0.743573 Cr\n0.107969 0.730932 0.243573 Cr\n0.892031 0.269068 0.756427 Cr\n0.607969 0.269068 0.256427 Cr\n0.146141 0.968616 0.795740 P\n0.353859 0.968616 0.295740 P\n0.090989 0.638783 0.681678 P\n0.409011 0.638783 0.181678 P\n0.590989 0.361217 0.818322 P\n0.909011 0.361217 0.318322 P\n0.646141 0.031384 0.704260 P\n0.853859 0.031384 0.204260 P\n0.294021 0.988604 0.740240 O\n0.119583 0.820456 0.981816 O\n0.581942 0.824199 0.745757 O\n0.071642 0.871569 0.663818 O\n0.205979 0.988604 0.240240 O\n0.380417 0.820456 0.481816 O\n0.395219 0.623212 0.002960 O\n0.918058 0.824199 0.245757 O\n0.428358 0.871569 0.163818 O\n0.218579 0.561402 0.792750 O\n0.104781 0.623212 0.502960 O\n0.469095 0.474735 0.712679 O\n0.969095 0.525265 0.787321 O\n0.281421 0.561402 0.292750 O\n0.718579 0.438598 0.707250 O\n0.030905 0.474735 0.212679 O\n0.530905 0.525265 0.287321 O\n0.895219 0.376788 0.497040 O\n0.781421 0.438598 0.207250 O\n0.571642 0.128431 0.836182 O\n0.081942 0.175801 0.754243 O\n0.604781 0.376788 0.997040 O\n0.619583 0.179544 0.518184 O\n0.794021 0.011396 0.759760 O\n0.928358 0.128431 0.336182 O\n0.418058 0.175801 0.254243 O\n0.880417 0.179544 0.018184 O\n0.705979 0.011396 0.259760 O\n",
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{
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"updated_at": "2021-11-28T01:37:12.908000Z",
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}
]
}