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{
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"structure_string": "Tm2 Ni21 B6\n1.0\n0.000000 5.316365 5.316365\n5.316365 0.000000 5.316365\n5.316365 5.316365 0.000000\nTm Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.837763 0.387412 0.387412 Ni\n0.162237 0.612588 0.612588 Ni\n0.612588 0.612588 0.612588 Ni\n0.612588 0.612588 0.162237 Ni\n0.387412 0.837763 0.387412 Ni\n0.663030 0.336970 0.000000 Ni\n0.000000 0.336970 0.663030 Ni\n0.387412 0.387412 0.387412 Ni\n0.000000 0.000000 0.336970 Ni\n0.000000 0.000000 0.663030 Ni\n0.000000 0.336970 0.000000 Ni\n0.663030 0.000000 0.336970 Ni\n0.336970 0.000000 0.000000 Ni\n0.000000 0.663030 0.000000 Ni\n0.336970 0.000000 0.663030 Ni\n0.000000 0.663030 0.336970 Ni\n0.336970 0.663030 0.000000 Ni\n0.612588 0.162237 0.612588 Ni\n0.000000 0.000000 0.000000 Ni\n0.663030 0.000000 0.000000 Ni\n0.387412 0.387412 0.837763 Ni\n0.729547 0.729547 0.270453 B\n0.729547 0.270453 0.729547 B\n0.270453 0.729547 0.729547 B\n0.270453 0.270453 0.729547 B\n0.270453 0.729547 0.270453 B\n0.729547 0.270453 0.270453 B\n",
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{
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"structure_string": "Mn8 N8 O40\n1.0\n0.000000 -2.987013 0.000000\n-0.011885 0.000000 -14.561124\n15.821417 0.000000 6.873580\nMn N O\n8 8 40\ndirect\n0.791626 0.264106 0.078673 Mn\n0.291626 0.235894 0.921327 Mn\n0.208374 0.735894 0.921327 Mn\n0.708374 0.764106 0.078673 Mn\n0.930944 0.686266 0.422151 Mn\n0.430944 0.813734 0.577849 Mn\n0.069056 0.313734 0.577849 Mn\n0.569056 0.186266 0.422151 Mn\n0.660489 0.600591 0.144756 N\n0.160489 0.899409 0.855244 N\n0.339511 0.399409 0.855244 N\n0.839511 0.100591 0.144756 N\n0.941467 0.460324 0.360254 N\n0.441467 0.039676 0.639746 N\n0.058533 0.539676 0.639746 N\n0.558533 0.960324 0.360254 N\n0.294596 0.340506 0.135986 O\n0.794596 0.159494 0.864014 O\n0.705404 0.659494 0.864014 O\n0.205404 0.840506 0.135986 O\n0.660684 0.696613 0.163132 O\n0.160684 0.803387 0.836868 O\n0.339316 0.303387 0.836868 O\n0.839316 0.196613 0.163132 O\n0.785117 0.538987 0.075246 O\n0.285117 0.961013 0.924754 O\n0.214883 0.461013 0.924754 O\n0.714883 0.038987 0.075246 O\n0.529752 0.573886 0.201424 O\n0.029752 0.926114 0.798576 O\n0.470248 0.426114 0.798576 O\n0.970248 0.073886 0.201424 O\n0.292269 0.183805 0.008767 O\n0.792269 0.316195 0.991233 O\n0.707731 0.816195 0.991233 O\n0.207731 0.683805 0.008767 O\n0.435547 0.705305 0.362992 O\n0.935547 0.794695 0.637008 O\n0.564453 0.294695 0.637008 O\n0.064453 0.205305 0.362992 O\n0.998039 0.538059 0.341437 O\n0.498039 0.961941 0.658563 O\n0.001961 0.461941 0.658563 O\n0.501961 0.038059 0.341437 O\n0.765533 0.468598 0.427617 O\n0.265533 0.031402 0.572383 O\n0.234467 0.531402 0.572383 O\n0.734467 0.968598 0.427617 O\n0.072642 0.378023 0.306940 O\n0.572642 0.121977 0.693060 O\n0.927358 0.621977 0.693060 O\n0.427358 0.878023 0.306940 O\n0.432075 0.676570 0.493921 O\n0.932075 0.823430 0.506079 O\n0.567925 0.323429 0.506079 O\n0.067925 0.176570 0.493921 O\n",
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"formula_full": "Mn8 N8 O40",
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"spacegroup": 14
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{
"id": "mp-25977",
"created_at": "2022-09-04T14:42:23.593497Z",
"structure_string": "Li4 Fe4 P16 O48\n1.0\n8.379330 0.000000 0.000000\n0.000000 9.399288 0.000000\n0.000000 0.000000 12.804987\nLi Fe P O\n4 4 16 48\ndirect\n0.002581 0.750000 0.000000 Li\n0.502581 0.750000 0.500000 Li\n0.497419 0.250000 0.500000 Li\n0.997419 0.250000 0.000000 Li\n0.870863 0.750000 0.500000 Fe\n0.129137 0.250000 0.500000 Fe\n0.629137 0.250000 0.000000 Fe\n0.370863 0.750000 0.000000 Fe\n0.467462 0.490111 0.848156 P\n0.532538 0.990111 0.848156 P\n0.967462 0.490111 0.651844 P\n0.177176 0.993958 0.862938 P\n0.177176 0.506042 0.137062 P\n0.822824 0.006042 0.137062 P\n0.467462 0.009889 0.151844 P\n0.532538 0.509889 0.151844 P\n0.032538 0.509889 0.348156 P\n0.967462 0.009889 0.348156 P\n0.322824 0.006042 0.362938 P\n0.677176 0.506042 0.362938 P\n0.322824 0.493958 0.637062 P\n0.677176 0.993958 0.637062 P\n0.032538 0.990111 0.651844 P\n0.822824 0.493958 0.862938 P\n0.872257 0.878741 0.373774 O\n0.467078 0.371772 0.927962 O\n0.532922 0.871772 0.927962 O\n0.809892 0.366637 0.936103 O\n0.190108 0.633363 0.063897 O\n0.809892 0.133363 0.063897 O\n0.467078 0.128228 0.072038 O\n0.532922 0.628228 0.072038 O\n0.093235 0.376646 0.101431 O\n0.906765 0.876646 0.101431 O\n0.372257 0.878741 0.126226 O\n0.627743 0.378741 0.126226 O\n0.352979 0.465289 0.179516 O\n0.647021 0.965289 0.179516 O\n0.097015 0.574524 0.240882 O\n0.902985 0.074524 0.240882 O\n0.402985 0.074524 0.259118 O\n0.597015 0.574524 0.259118 O\n0.147021 0.965289 0.320484 O\n0.852979 0.465289 0.320484 O\n0.127743 0.378741 0.373774 O\n0.190108 0.866637 0.936103 O\n0.406765 0.876646 0.398569 O\n0.593235 0.376646 0.398569 O\n0.032922 0.628228 0.427962 O\n0.967078 0.128228 0.427962 O\n0.309892 0.133363 0.436103 O\n0.690108 0.633363 0.436103 O\n0.309892 0.366637 0.563897 O\n0.690108 0.866637 0.563897 O\n0.032922 0.871772 0.572038 O\n0.967078 0.371772 0.572038 O\n0.406765 0.623354 0.601431 O\n0.593235 0.123354 0.601431 O\n0.127743 0.121259 0.626226 O\n0.872257 0.621259 0.626226 O\n0.147021 0.534711 0.679516 O\n0.852979 0.034711 0.679516 O\n0.402985 0.425476 0.740882 O\n0.597015 0.925476 0.740882 O\n0.097015 0.925476 0.759118 O\n0.902985 0.425476 0.759118 O\n0.352979 0.034711 0.820484 O\n0.647021 0.534711 0.820484 O\n0.372257 0.621259 0.873774 O\n0.906765 0.623354 0.898569 O\n0.093235 0.123354 0.898569 O\n0.627743 0.121259 0.873774 O\n",
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"formula_full": "Li4 Fe4 P16 O48",
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{
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"created_at": "2022-09-04T14:42:23.596892Z",
"structure_string": "Pr1 Ni5\n1.0\n2.485361 -4.304771 0.000000\n2.485361 4.304771 0.000000\n0.000000 0.000000 3.961110\nPr Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
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{
"id": "mp-1181575",
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"structure_string": "K3 Na8 Fe1 H12 S6 N2 O36\n1.0\n8.972496 -5.531882 0.000000\n8.972496 5.531882 0.000000\n5.561883 0.000000 8.953930\nK Na Fe H S N O\n3 8 1 12 6 2 36\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.872833 0.872833 0.872833 Na\n0.127167 0.127167 0.127167 Na\n0.726811 0.736759 0.265691 Na\n0.265691 0.726811 0.736759 Na\n0.736759 0.265691 0.726811 Na\n0.273189 0.263241 0.734309 Na\n0.734309 0.273189 0.263241 Na\n0.263241 0.734309 0.273189 Na\n0.000000 0.000000 0.000000 Fe\n0.611498 0.769903 0.037048 H\n0.037048 0.611498 0.769903 H\n0.769903 0.037048 0.611498 H\n0.388502 0.230097 0.962952 H\n0.962952 0.388502 0.230097 H\n0.230097 0.962952 0.388502 H\n0.751720 0.630070 0.036096 H\n0.036096 0.751720 0.630070 H\n0.630070 0.036096 0.751720 H\n0.248280 0.369930 0.963904 H\n0.963904 0.248280 0.369930 H\n0.369930 0.963904 0.248280 H\n0.900050 0.890554 0.377034 S\n0.377034 0.900050 0.890554 S\n0.890554 0.377034 0.900050 S\n0.099950 0.109446 0.622966 S\n0.622966 0.099950 0.109446 S\n0.109446 0.622966 0.099950 S\n0.572928 0.572928 0.572928 N\n0.427072 0.427072 0.427072 N\n0.991256 0.948425 0.213561 O\n0.213561 0.991256 0.948425 O\n0.948425 0.213561 0.991256 O\n0.008744 0.051575 0.786439 O\n0.786439 0.008744 0.051575 O\n0.051575 0.786439 0.008744 O\n0.808430 0.812474 0.386664 O\n0.386664 0.808430 0.812474 O\n0.812474 0.386664 0.808430 O\n0.191571 0.187526 0.613336 O\n0.613336 0.191571 0.187526 O\n0.187526 0.613336 0.191571 O\n0.011715 0.786261 0.457161 O\n0.457161 0.011715 0.786261 O\n0.786261 0.457161 0.011715 O\n0.988285 0.213739 0.542839 O\n0.542839 0.988285 0.213739 O\n0.213739 0.542839 0.988285 O\n0.804674 0.021288 0.432474 O\n0.432474 0.804674 0.021288 O\n0.021288 0.432474 0.804674 O\n0.195326 0.978712 0.567526 O\n0.567526 0.195326 0.978712 O\n0.978712 0.567526 0.195326 O\n0.729905 0.048349 0.711818 O\n0.711818 0.729905 0.048349 O\n0.048349 0.711818 0.729905 O\n0.270095 0.951651 0.288182 O\n0.288182 0.270095 0.951651 O\n0.951651 0.288182 0.270095 O\n0.705259 0.508655 0.504407 O\n0.504407 0.705259 0.508655 O\n0.508655 0.504407 0.705259 O\n0.294741 0.491345 0.495593 O\n0.495593 0.294741 0.491345 O\n0.491345 0.495593 0.294741 O\n",
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{
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"created_at": "2022-09-04T14:42:23.621978Z",
"structure_string": "Li4 Mn6 O8 F6\n1.0\n6.392633 0.000000 0.000000\n-1.371873 6.372011 0.000000\n-3.097179 -2.701642 6.876488\nLi Mn O F\n4 6 8 6\ndirect\n0.238994 0.842786 0.538189 Li\n0.728272 0.260819 0.927759 Li\n0.227928 0.728071 0.080857 Li\n0.825368 0.177100 0.474390 Li\n0.586001 0.566976 0.351596 Mn\n0.840957 0.842679 0.780008 Mn\n0.709739 0.734317 0.071385 Mn\n0.294874 0.274014 0.935580 Mn\n0.131226 0.148079 0.209899 Mn\n0.419185 0.413614 0.639916 Mn\n0.514303 0.685710 0.567278 O\n0.648659 0.464557 0.132597 O\n0.167605 0.988325 0.983498 O\n0.251070 0.429317 0.155124 O\n0.376373 0.169310 0.735867 O\n0.756545 0.573386 0.860084 O\n0.776506 0.000583 0.016903 O\n0.104945 0.291136 0.428872 O\n0.929498 0.706758 0.548080 F\n0.113543 0.848025 0.271915 F\n0.621280 0.872854 0.271487 F\n0.895466 0.143390 0.731056 F\n0.305969 0.577664 0.870351 F\n0.535695 0.260530 0.417310 F\n",
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{
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