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{
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"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n-0.100365 6.711164 0.030512\n0.163764 0.048227 10.220770\n8.721416 -0.131715 0.166141\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.260855 0.380221 0.087617 Na\n0.260849 0.880732 0.087499 Na\n0.986690 0.125753 0.247577 Na\n0.987393 0.626333 0.248174 Na\n0.504735 0.373045 0.746519 Na\n0.504503 0.873961 0.746467 Na\n0.452955 0.110324 0.293683 Li\n0.452875 0.610523 0.294238 Li\n0.978755 0.378921 0.723375 Li\n0.978867 0.879698 0.722950 Li\n0.764019 0.121926 0.890925 Li\n0.763763 0.622031 0.891249 Li\n0.741424 0.890258 0.353247 Fe\n0.244680 0.610041 0.654173 Fe\n0.741457 0.390078 0.353327 Fe\n0.244424 0.110971 0.653013 Fe\n0.241694 0.355729 0.419466 P\n0.242002 0.855728 0.419844 P\n0.748309 0.144494 0.587954 P\n0.748468 0.644228 0.587981 P\n0.765034 0.365341 0.039038 C\n0.765094 0.865457 0.039128 C\n0.263341 0.137790 0.951208 C\n0.263978 0.637978 0.951953 C\n0.274061 0.145078 0.099311 O\n0.274620 0.645764 0.099936 O\n0.769258 0.489859 0.062031 O\n0.769327 0.990016 0.062087 O\n0.734068 0.283321 0.154496 O\n0.734458 0.783492 0.154588 O\n0.056761 0.392716 0.315724 O\n0.056826 0.892320 0.316058 O\n0.424276 0.412531 0.334389 O\n0.424326 0.912612 0.334332 O\n0.262563 0.202334 0.435494 O\n0.263366 0.702502 0.436472 O\n0.727621 0.087563 0.425057 O\n0.728130 0.587393 0.425086 O\n0.227280 0.409575 0.582326 O\n0.227429 0.910367 0.582312 O\n0.773740 0.296050 0.569791 O\n0.773072 0.795852 0.570055 O\n0.565373 0.113853 0.687910 O\n0.565513 0.612866 0.687795 O\n0.928614 0.084626 0.683899 O\n0.929117 0.584657 0.683974 O\n0.243671 0.242455 0.862361 O\n0.244507 0.742396 0.862596 O\n0.269224 0.025143 0.886223 O\n0.269679 0.525023 0.887478 O\n0.788599 0.318954 0.903809 O\n0.788361 0.819122 0.903800 O\n",
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{
"id": "mp-772536",
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"structure_string": "Na10 Li2 Fe4 P4 C4 O28\n1.0\n6.616308 0.000000 0.000000\n0.000000 8.983145 0.000000\n0.000000 0.184552 10.384928\nNa Li Fe P C O\n10 2 4 4 4 28\ndirect\n0.249688 0.083014 0.880921 Na\n0.252252 0.082712 0.379556 Na\n0.000779 0.260805 0.624178 Na\n0.498973 0.260511 0.624431 Na\n0.001699 0.260141 0.124622 Na\n0.501699 0.739859 0.875378 Na\n0.500779 0.739195 0.375822 Na\n0.998973 0.739489 0.375569 Na\n0.752252 0.917288 0.620444 Na\n0.749688 0.916986 0.119079 Na\n0.496212 0.268886 0.123111 Li\n0.996212 0.731114 0.876889 Li\n0.747917 0.355380 0.893530 Fe\n0.749752 0.355432 0.391417 Fe\n0.249752 0.644568 0.608583 Fe\n0.247917 0.644620 0.106470 Fe\n0.246102 0.415768 0.851055 P\n0.252659 0.412022 0.348952 P\n0.752659 0.587978 0.651048 P\n0.746102 0.584232 0.148945 P\n0.754585 0.056524 0.866795 C\n0.747860 0.060559 0.364687 C\n0.247860 0.939441 0.635313 C\n0.254585 0.943476 0.133205 C\n0.249747 0.082626 0.643089 O\n0.266338 0.087397 0.139796 O\n0.748738 0.121317 0.978523 O\n0.750125 0.123317 0.477426 O\n0.747943 0.139444 0.762535 O\n0.744162 0.144845 0.260972 O\n0.059863 0.319049 0.891282 O\n0.434555 0.324445 0.897270 O\n0.062725 0.318391 0.388211 O\n0.438157 0.317985 0.394280 O\n0.251821 0.432650 0.701381 O\n0.749894 0.433629 0.588155 O\n0.260822 0.429164 0.198652 O\n0.736632 0.427413 0.089176 O\n0.236632 0.572587 0.910824 O\n0.760822 0.570836 0.801348 O\n0.249894 0.566371 0.411845 O\n0.751821 0.567350 0.298619 O\n0.562725 0.681609 0.611789 O\n0.938157 0.682015 0.605720 O\n0.559863 0.680951 0.108718 O\n0.934555 0.675555 0.102730 O\n0.244162 0.855155 0.739028 O\n0.247943 0.860556 0.237465 O\n0.250125 0.876683 0.522574 O\n0.248738 0.878683 0.021477 O\n0.766338 0.912603 0.860204 O\n0.749747 0.917374 0.356911 O\n",
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{
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"structure_string": "Na2 Li10 Fe4 P4 C4 O28\n1.0\n6.531174 0.000000 0.000000\n0.000000 8.547314 0.000000\n0.000000 0.718795 10.050244\nNa Li Fe P C O\n2 10 4 4 4 28\ndirect\n0.001291 0.255496 0.627444 Na\n0.501291 0.744504 0.372556 Na\n0.262661 0.090490 0.877374 Li\n0.241643 0.088032 0.373424 Li\n0.477437 0.276172 0.620530 Li\n0.019654 0.273339 0.124553 Li\n0.478446 0.273250 0.124223 Li\n0.519654 0.726661 0.875447 Li\n0.978446 0.726750 0.875777 Li\n0.977437 0.723828 0.379470 Li\n0.741643 0.911968 0.626576 Li\n0.762661 0.909510 0.122626 Li\n0.751652 0.336622 0.896389 Fe\n0.743245 0.342806 0.390786 Fe\n0.243245 0.657194 0.609214 Fe\n0.251652 0.663378 0.103611 Fe\n0.256975 0.410859 0.858188 P\n0.243078 0.408888 0.354110 P\n0.743078 0.591112 0.645890 P\n0.756975 0.589141 0.141812 P\n0.747628 0.033934 0.858856 C\n0.758213 0.041141 0.353124 C\n0.258213 0.958859 0.646876 C\n0.247628 0.966066 0.141144 C\n0.282477 0.101321 0.678645 O\n0.245063 0.111962 0.168885 O\n0.754125 0.075114 0.979796 O\n0.755326 0.076396 0.476868 O\n0.743610 0.143005 0.760971 O\n0.735647 0.152737 0.258647 O\n0.065786 0.309944 0.902280 O\n0.438895 0.308844 0.916378 O\n0.057138 0.301210 0.394234 O\n0.430213 0.311590 0.410498 O\n0.270778 0.427532 0.703208 O\n0.728516 0.429125 0.588447 O\n0.256245 0.430172 0.198852 O\n0.754261 0.423286 0.090778 O\n0.254261 0.576714 0.909222 O\n0.756245 0.569828 0.801148 O\n0.228516 0.570875 0.411553 O\n0.770778 0.572468 0.296792 O\n0.557138 0.698790 0.605766 O\n0.930213 0.688410 0.589502 O\n0.565786 0.690056 0.097720 O\n0.938895 0.691156 0.083622 O\n0.235647 0.847263 0.741353 O\n0.243610 0.856995 0.239029 O\n0.255326 0.923604 0.523132 O\n0.254125 0.924886 0.020204 O\n0.745063 0.888038 0.831115 O\n0.782477 0.898679 0.321355 O\n",
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{
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"structure_string": "Na8 Li4 Fe4 P4 C4 O28\n1.0\n6.749277 0.000000 0.000000\n-0.109193 8.794776 0.000000\n-0.025424 -0.445649 10.270707\nNa Li Fe P C O\n8 4 4 4 4 28\ndirect\n0.252679 0.085517 0.619323 Na\n0.001106 0.258796 0.367444 Na\n0.002925 0.264744 0.879196 Na\n0.497571 0.264354 0.874008 Na\n0.503655 0.741671 0.125697 Na\n0.997820 0.740207 0.126445 Na\n0.505395 0.737449 0.625624 Na\n0.993411 0.737338 0.628222 Na\n0.262891 0.091941 0.123057 Li\n0.470342 0.283412 0.377527 Li\n0.738143 0.903064 0.378181 Li\n0.749372 0.900610 0.879316 Li\n0.745180 0.352206 0.114064 Fe\n0.745136 0.348323 0.602575 Fe\n0.249793 0.652057 0.385042 Fe\n0.253437 0.651852 0.890908 Fe\n0.254525 0.402897 0.145789 P\n0.247337 0.415028 0.637892 P\n0.745493 0.590857 0.352342 P\n0.751557 0.590288 0.857492 P\n0.747886 0.048583 0.141410 C\n0.749720 0.050163 0.642944 C\n0.260748 0.948628 0.355785 C\n0.250755 0.950109 0.867548 C\n0.276328 0.093431 0.338831 O\n0.245112 0.093172 0.846820 O\n0.748826 0.073945 0.017761 O\n0.752871 0.077860 0.519679 O\n0.741008 0.163036 0.226733 O\n0.743267 0.163900 0.729173 O\n0.066001 0.303799 0.116336 O\n0.430045 0.301790 0.099256 O\n0.059318 0.318215 0.598935 O\n0.428903 0.318948 0.589172 O\n0.274267 0.434300 0.297084 O\n0.729046 0.431828 0.411811 O\n0.255521 0.437809 0.789224 O\n0.752083 0.437913 0.927090 O\n0.249828 0.557278 0.079560 O\n0.748955 0.567109 0.201239 O\n0.246828 0.571819 0.576690 O\n0.749165 0.558880 0.707464 O\n0.568718 0.695661 0.391700 O\n0.933565 0.682705 0.397595 O\n0.569519 0.690663 0.896579 O\n0.936464 0.691485 0.895470 O\n0.249406 0.853479 0.255531 O\n0.252905 0.851005 0.768722 O\n0.254957 0.892571 0.470910 O\n0.254722 0.901547 0.985342 O\n0.753230 0.912636 0.184002 O\n0.752263 0.913123 0.683459 O\n",
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{
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -338.54377212,
"band_gap": 3.5619000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0001197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.964000Z",
"spacegroup": 7
}
]
}