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{
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"structure_string": "Li4 Fe16 P12 O48\n1.0\n6.283438 0.000000 0.000000\n0.000000 9.886482 0.000000\n0.000000 0.000000 16.538310\nLi Fe P O\n4 16 12 48\ndirect\n0.000000 0.255865 0.434120 Li\n0.000000 0.744135 0.565880 Li\n0.500000 0.755865 0.065880 Li\n0.500000 0.244135 0.934120 Li\n0.000000 0.543692 0.093395 Fe\n0.000000 0.987148 0.135421 Fe\n0.000000 0.012852 0.864579 Fe\n0.000000 0.456308 0.906605 Fe\n0.751633 0.753621 0.299558 Fe\n0.751633 0.246379 0.700442 Fe\n0.748367 0.253621 0.200442 Fe\n0.748367 0.746379 0.799558 Fe\n0.500000 0.956308 0.593395 Fe\n0.500000 0.043692 0.406605 Fe\n0.500000 0.487148 0.364579 Fe\n0.500000 0.512852 0.635421 Fe\n0.251633 0.253621 0.200442 Fe\n0.251633 0.746379 0.799558 Fe\n0.248367 0.753621 0.299558 Fe\n0.248367 0.246379 0.700442 Fe\n0.000000 0.214449 0.035898 P\n0.000000 0.050262 0.336500 P\n0.000000 0.460543 0.285982 P\n0.000000 0.539457 0.714018 P\n0.000000 0.949738 0.663500 P\n0.000000 0.785551 0.964102 P\n0.500000 0.960543 0.214018 P\n0.500000 0.714449 0.464102 P\n0.500000 0.285551 0.535898 P\n0.500000 0.039457 0.785982 P\n0.500000 0.550262 0.163500 P\n0.500000 0.449738 0.836500 P\n0.000000 0.369674 0.023462 O\n0.000000 0.117850 0.248846 O\n0.000000 0.402552 0.196341 O\n0.000000 0.851040 0.047192 O\n0.000000 0.617150 0.279690 O\n0.000000 0.105542 0.673802 O\n0.000000 0.894458 0.326198 O\n0.000000 0.382850 0.720310 O\n0.000000 0.148960 0.952808 O\n0.000000 0.597448 0.803659 O\n0.000000 0.882150 0.751154 O\n0.000000 0.630326 0.976538 O\n0.801982 0.169294 0.087293 O\n0.801982 0.830706 0.912707 O\n0.805427 0.896908 0.616134 O\n0.805427 0.103092 0.383866 O\n0.797359 0.402361 0.325489 O\n0.797359 0.597639 0.674511 O\n0.702641 0.902361 0.174511 O\n0.702641 0.097639 0.825489 O\n0.694573 0.396908 0.883866 O\n0.694573 0.603092 0.116134 O\n0.698018 0.330706 0.587293 O\n0.698018 0.669294 0.412707 O\n0.500000 0.351040 0.452808 O\n0.500000 0.869674 0.476538 O\n0.500000 0.130326 0.523462 O\n0.500000 0.648960 0.547192 O\n0.500000 0.882850 0.779690 O\n0.500000 0.605542 0.826198 O\n0.500000 0.617850 0.251154 O\n0.500000 0.902552 0.303659 O\n0.500000 0.097448 0.696341 O\n0.500000 0.394458 0.173802 O\n0.500000 0.117150 0.220310 O\n0.500000 0.382150 0.748846 O\n0.301982 0.669294 0.412707 O\n0.301982 0.330706 0.587293 O\n0.305427 0.603092 0.116134 O\n0.305427 0.396908 0.883866 O\n0.297359 0.902361 0.174511 O\n0.297359 0.097639 0.825489 O\n0.202641 0.402361 0.325489 O\n0.202641 0.597639 0.674511 O\n0.194573 0.103092 0.383866 O\n0.194573 0.896908 0.616134 O\n0.198018 0.169294 0.087293 O\n0.198018 0.830706 0.912707 O\n",
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"formula_full": "Li4 Fe16 P12 O48",
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"spacegroup": 58
},
{
"id": "mp-758886",
"created_at": "2022-09-04T14:48:17.740958Z",
"structure_string": "Li12 Cu12 P12 O48\n1.0\n5.405436 -9.362490 0.000000\n5.405436 9.362490 0.000000\n0.000000 0.000000 11.163936\nLi Cu P O\n12 12 12 48\ndirect\n0.000000 0.500000 0.014269 Li\n0.000000 0.500000 0.652398 Li\n0.000000 0.500000 0.333333 Li\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.833333 Li\n0.500000 0.500000 0.347602 Li\n0.500000 0.500000 0.666667 Li\n0.500000 0.500000 0.985731 Li\n0.500000 0.000000 0.319065 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.680935 Li\n0.000000 0.765172 0.333333 Cu\n0.246686 0.753314 0.666667 Cu\n0.000000 0.234828 0.333333 Cu\n0.246686 0.493372 0.000000 Cu\n0.234828 0.234828 0.666667 Cu\n0.506628 0.753314 0.333333 Cu\n0.234828 0.000000 0.000000 Cu\n0.493372 0.246686 0.333333 Cu\n0.765172 0.765172 0.666667 Cu\n0.753314 0.506628 0.000000 Cu\n0.753314 0.246686 0.666667 Cu\n0.765172 0.000000 0.000000 Cu\n0.000000 0.740810 0.833333 P\n0.000000 0.259190 0.833333 P\n0.250139 0.749861 0.166667 P\n0.250139 0.500278 0.500000 P\n0.499722 0.749861 0.833333 P\n0.259190 0.259190 0.166667 P\n0.259190 0.000000 0.500000 P\n0.740810 0.740810 0.166667 P\n0.500278 0.250139 0.833333 P\n0.749861 0.499722 0.500000 P\n0.749861 0.250139 0.166667 P\n0.740810 0.000000 0.500000 P\n0.105490 0.881781 0.463182 O\n0.118219 0.894510 0.870151 O\n0.049645 0.681885 0.729501 O\n0.121608 0.705249 0.250869 O\n0.294751 0.878392 0.082464 O\n0.318115 0.950355 0.603832 O\n0.197573 0.586772 0.574619 O\n0.049645 0.367761 0.937166 O\n0.197573 0.610801 0.092048 O\n0.121608 0.416359 0.415797 O\n0.105490 0.223709 0.203485 O\n0.413228 0.802427 0.758715 O\n0.389199 0.802427 0.241285 O\n0.118219 0.223709 0.796515 O\n0.294751 0.416359 0.584203 O\n0.413228 0.610801 0.907952 O\n0.318115 0.367761 0.062834 O\n0.389199 0.586772 0.425381 O\n0.223709 0.118219 0.536818 O\n0.223709 0.105490 0.129849 O\n0.632239 0.950355 0.396168 O\n0.583641 0.878392 0.917536 O\n0.583641 0.705249 0.749131 O\n0.367761 0.318115 0.270499 O\n0.632239 0.681885 0.270499 O\n0.416359 0.294751 0.749131 O\n0.416359 0.121608 0.917536 O\n0.367761 0.049645 0.396168 O\n0.776291 0.894510 0.129849 O\n0.776291 0.881781 0.536818 O\n0.610801 0.413228 0.425381 O\n0.681885 0.632239 0.062834 O\n0.586772 0.389199 0.907952 O\n0.705249 0.583641 0.584203 O\n0.881781 0.776291 0.796515 O\n0.610801 0.197573 0.241285 O\n0.586772 0.197573 0.758715 O\n0.894510 0.776291 0.203485 O\n0.878392 0.583641 0.415797 O\n0.802427 0.389199 0.092048 O\n0.950355 0.632239 0.937166 O\n0.802427 0.413228 0.574619 O\n0.681885 0.049645 0.603832 O\n0.705249 0.121608 0.082464 O\n0.878392 0.294751 0.250869 O\n0.950355 0.318115 0.729501 O\n0.881781 0.105490 0.870151 O\n0.894510 0.118219 0.463182 O\n",
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"formula_full": "Li12 Cu12 P12 O48",
"formula_reduced": "LiCuPO4",
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{
"id": "mp-779208",
"created_at": "2022-09-04T14:40:21.002217Z",
"structure_string": "Li3 V6 P12 H6 O48\n1.0\n7.755206 0.000000 0.000000\n-0.008732 7.895353 0.000000\n-2.035933 -0.015580 13.468503\nLi V P H O\n3 6 12 6 48\ndirect\n0.032554 0.133418 0.181911 Li\n0.627610 0.866999 0.481887 Li\n0.208715 0.370250 0.851894 Li\n0.169125 0.506560 0.166047 V\n0.654905 0.995026 0.166173 V\n0.500932 0.493113 0.499182 V\n0.008989 0.006126 0.502872 V\n0.331680 0.992533 0.832185 V\n0.825249 0.504574 0.833284 V\n0.278070 0.155032 0.045685 P\n0.779921 0.352441 0.048081 P\n0.049499 0.847733 0.288758 P\n0.111317 0.352435 0.380640 P\n0.560195 0.642898 0.285567 P\n0.612638 0.147766 0.379395 P\n0.385967 0.841418 0.621251 P\n0.448120 0.341854 0.711092 P\n0.889646 0.645654 0.618459 P\n0.942459 0.145593 0.716026 P\n0.219848 0.651980 0.954398 P\n0.720308 0.853573 0.952293 P\n0.512618 0.489914 0.005888 H\n0.316033 0.991025 0.327197 H\n0.846273 0.494525 0.338716 H\n0.170952 0.501034 0.666659 H\n0.666631 0.003660 0.668088 H\n0.986103 0.989121 0.992048 H\n0.118931 0.054833 0.063600 O\n0.193534 0.672590 0.064346 O\n0.278837 0.329487 0.094284 O\n0.449054 0.058012 0.095337 O\n0.616435 0.450408 0.062862 O\n0.062917 0.671046 0.247307 O\n0.703651 0.837396 0.064074 O\n0.126498 0.324250 0.270011 O\n0.780406 0.173932 0.096651 O\n0.207037 0.959618 0.271428 O\n0.945725 0.443223 0.100689 O\n0.389925 0.559121 0.233886 O\n0.565372 0.826072 0.235236 O\n0.032418 0.839896 0.400937 O\n0.633697 0.156448 0.266075 O\n0.721882 0.549907 0.270343 O\n0.103586 0.172898 0.431845 O\n0.890787 0.946732 0.232556 O\n0.278606 0.439883 0.431645 O\n0.458642 0.036861 0.394315 O\n0.539048 0.672908 0.395940 O\n0.604947 0.327451 0.418613 O\n0.055531 0.551974 0.608101 O\n0.778356 0.053644 0.433792 O\n0.217018 0.940049 0.569834 O\n0.949479 0.449000 0.398193 O\n0.389147 0.668344 0.571691 O\n0.471792 0.325461 0.601409 O\n0.546629 0.942195 0.603532 O\n0.724053 0.553638 0.565238 O\n0.106649 0.052071 0.766535 O\n0.885735 0.825267 0.570066 O\n0.285975 0.441822 0.728179 O\n0.364666 0.825229 0.731107 O\n0.964986 0.160930 0.603384 O\n0.441524 0.168732 0.760131 O\n0.614872 0.439759 0.764957 O\n0.053098 0.554595 0.899105 O\n0.775227 0.052207 0.726406 O\n0.225998 0.829014 0.909204 O\n0.864001 0.659472 0.730732 O\n0.296022 0.172187 0.934367 O\n0.946647 0.324236 0.765542 O\n0.373675 0.542685 0.937632 O\n0.557083 0.941850 0.899698 O\n0.729785 0.672262 0.905880 O\n0.797298 0.339327 0.935405 O\n0.884409 0.950059 0.935472 O\n",
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{
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"structure_string": "Na6 Mn6 Fe6 P12 O48\n1.0\n9.994544 0.000000 0.000000\n1.480406 9.975125 0.000000\n3.485356 2.666727 11.987773\nNa Mn Fe P O\n6 6 6 12 48\ndirect\n0.826767 0.804229 0.587665 Na\n0.500000 0.500000 0.500000 Na\n0.173233 0.195771 0.412335 Na\n0.703024 0.730129 0.262334 Na\n0.000000 0.000000 0.000000 Na\n0.296976 0.269871 0.737666 Na\n0.142411 0.909239 0.674191 Mn\n0.661797 0.118187 0.542593 Mn\n0.338203 0.881813 0.457407 Mn\n0.857589 0.090761 0.325809 Mn\n0.224273 0.402459 0.156683 Mn\n0.775727 0.597541 0.843317 Mn\n0.187838 0.514834 0.401670 Fe\n0.812162 0.485166 0.598330 Fe\n0.704279 0.366686 0.062739 Fe\n0.625635 0.034570 0.884315 Fe\n0.374365 0.965430 0.115685 Fe\n0.295721 0.633314 0.937261 Fe\n0.643120 0.318935 0.719666 P\n0.136629 0.650256 0.599975 P\n0.545320 0.029384 0.330864 P\n0.454680 0.970616 0.669136 P\n0.863371 0.349744 0.400025 P\n0.162543 0.777723 0.140698 P\n0.356880 0.681065 0.280334 P\n0.506178 0.203162 0.111800 P\n0.110967 0.501552 0.831854 P\n0.889033 0.498448 0.168146 P\n0.493822 0.796838 0.888200 P\n0.837457 0.222277 0.859302 P\n0.673081 0.167257 0.703891 O\n0.167644 0.971891 0.524359 O\n0.932310 0.376980 0.485931 O\n0.145869 0.513585 0.693206 O\n0.393209 0.071370 0.389748 O\n0.196632 0.618390 0.834450 O\n0.496745 0.381224 0.724354 O\n0.439136 0.126982 0.625425 O\n0.175709 0.412577 0.304736 O\n0.307451 0.428355 0.474713 O\n0.287073 0.695381 0.544070 O\n0.646688 0.115483 0.350692 O\n0.353312 0.884517 0.649308 O\n0.712927 0.304619 0.455930 O\n0.316203 0.694640 0.161983 O\n0.692549 0.571645 0.525287 O\n0.824291 0.587423 0.695264 O\n0.560864 0.873018 0.374575 O\n0.503255 0.618776 0.275646 O\n0.657557 0.531860 0.984358 O\n0.803368 0.381610 0.165550 O\n0.606791 0.928630 0.610252 O\n0.854131 0.486415 0.306794 O\n0.503063 0.876332 0.978027 O\n0.067690 0.623020 0.514069 O\n0.558737 0.055969 0.199175 O\n0.955625 0.543523 0.874857 O\n0.885005 0.012700 0.220275 O\n0.832356 0.028109 0.475641 O\n0.049311 0.725950 0.239053 O\n0.838971 0.641955 0.122576 O\n0.646095 0.768607 0.821215 O\n0.814375 0.066665 0.885612 O\n0.326919 0.832743 0.296109 O\n0.835344 0.252583 0.973262 O\n0.046486 0.760979 0.662487 O\n0.953514 0.239021 0.337513 O\n0.164656 0.747417 0.026738 O\n0.185625 0.933335 0.114388 O\n0.353905 0.231393 0.178785 O\n0.161029 0.358045 0.877424 O\n0.950689 0.274050 0.760947 O\n0.114995 0.987300 0.779725 O\n0.044375 0.456477 0.125143 O\n0.441263 0.944031 0.800825 O\n0.496937 0.123668 0.021973 O\n0.342443 0.468140 0.015642 O\n0.683797 0.305360 0.838017 O\n",
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"formula_full": "Na6 Mn6 Fe6 P12 O48",
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{
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