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{
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{
"id": "mp-557864",
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"structure_string": "Fe4 W2 C20 Se4 O20\n1.0\n7.168294 0.000000 0.000000\n0.632070 9.608582 0.000000\n1.845143 1.706126 13.957178\nFe W C Se O\n4 2 20 4 20\ndirect\n0.285546 0.006082 0.273423 Fe\n0.357045 0.326021 0.363693 Fe\n0.714454 0.993918 0.726577 Fe\n0.642955 0.673979 0.636307 Fe\n0.605398 0.728818 0.831864 W\n0.394602 0.271182 0.168136 W\n0.630210 0.387584 0.137446 C\n0.430772 0.589454 0.626206 C\n0.566603 0.155875 0.075327 C\n0.433397 0.844125 0.924673 C\n0.907941 0.044797 0.783095 C\n0.214247 0.487177 0.365328 C\n0.718512 0.527632 0.860916 C\n0.569228 0.410546 0.373794 C\n0.281488 0.472368 0.139084 C\n0.780057 0.754380 0.932434 C\n0.369790 0.612416 0.862554 C\n0.554164 0.127824 0.774260 C\n0.785753 0.512823 0.634672 C\n0.304618 0.252403 0.484471 C\n0.771336 0.079340 0.609417 C\n0.695382 0.747597 0.515529 C\n0.445836 0.872176 0.225740 C\n0.092059 0.955203 0.216905 C\n0.219943 0.245620 0.067566 C\n0.228664 0.920660 0.390583 C\n0.109793 0.220664 0.302052 Se\n0.455622 0.873228 0.688364 Se\n0.544378 0.126772 0.311636 Se\n0.890207 0.779336 0.697948 Se\n0.221300 0.586043 0.120525 O\n0.663778 0.094934 0.020952 O\n0.294973 0.536109 0.617388 O\n0.877409 0.409362 0.633276 O\n0.237198 0.546258 0.879881 O\n0.122591 0.590638 0.366724 O\n0.034011 0.076043 0.817540 O\n0.545417 0.783076 0.197567 O\n0.965989 0.923957 0.182460 O\n0.727653 0.797020 0.436605 O\n0.336222 0.905066 0.979048 O\n0.878986 0.768945 0.988475 O\n0.272347 0.202980 0.563395 O\n0.193900 0.866904 0.468348 O\n0.454583 0.216924 0.802433 O\n0.806100 0.133096 0.531652 O\n0.121014 0.231055 0.011525 O\n0.762802 0.453742 0.120119 O\n0.705027 0.463891 0.382612 O\n0.778700 0.413957 0.879475 O\n",
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{
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"structure_string": "Ni6 P8 N4 O32\n1.0\n7.891295 0.000000 0.000000\n0.000000 9.006652 0.000000\n0.000000 0.806534 9.464336\nNi P N O\n6 8 4 32\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.370596 0.497375 0.630769 Ni\n0.870596 0.002625 0.369231 Ni\n0.629404 0.502625 0.369231 Ni\n0.129404 0.997375 0.630769 Ni\n0.286321 0.278304 0.398068 P\n0.786321 0.221696 0.601932 P\n0.713679 0.721696 0.601932 P\n0.213679 0.778304 0.398068 P\n0.439376 0.779438 0.783750 P\n0.939376 0.720562 0.216250 P\n0.560624 0.220562 0.216250 P\n0.060624 0.279438 0.783750 P\n0.477024 0.025963 0.054779 N\n0.977024 0.474037 0.945221 N\n0.522976 0.974037 0.945221 N\n0.022976 0.525963 0.054779 N\n0.370911 0.900122 0.675455 O\n0.870911 0.599878 0.324545 O\n0.629089 0.099878 0.324545 O\n0.129089 0.400122 0.675455 O\n0.386989 0.847395 0.371476 O\n0.886989 0.652605 0.628524 O\n0.613011 0.152605 0.628524 O\n0.113011 0.347395 0.371476 O\n0.415326 0.389783 0.450760 O\n0.915326 0.110217 0.549240 O\n0.584674 0.610217 0.549240 O\n0.084674 0.889783 0.450760 O\n0.287148 0.131710 0.492785 O\n0.787148 0.368290 0.507215 O\n0.712852 0.868290 0.507215 O\n0.212852 0.631710 0.492785 O\n0.361325 0.236997 0.245866 O\n0.861325 0.263003 0.754134 O\n0.638675 0.763003 0.754134 O\n0.138675 0.736997 0.245866 O\n0.434257 0.835531 0.941798 O\n0.934257 0.664469 0.058202 O\n0.565743 0.164469 0.058202 O\n0.065743 0.335531 0.941798 O\n0.484683 0.351875 0.752560 O\n0.984683 0.148125 0.247440 O\n0.515317 0.648125 0.247440 O\n0.015317 0.851875 0.752560 O\n0.350640 0.631969 0.795161 O\n0.850640 0.868031 0.204839 O\n0.649360 0.368031 0.204839 O\n0.149360 0.131969 0.795161 O\n",
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"formula_full": "Ni6 P8 N4 O32",
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{
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"created_at": "2022-09-04T14:47:27.430466Z",
"structure_string": "K4 Na4 Sb4 H12 O6 F20\n1.0\n17.902519 0.000000 0.000000\n0.000000 6.153828 0.000000\n0.000000 0.065415 6.155006\nK Na Sb H O F\n4 4 4 12 6 20\ndirect\n0.000166 0.757221 0.240329 K\n0.500166 0.242779 0.759671 K\n0.999834 0.242779 0.759671 K\n0.499834 0.757221 0.240329 K\n0.884930 0.252998 0.259168 Na\n0.384930 0.747002 0.740832 Na\n0.115070 0.747002 0.740832 Na\n0.615070 0.252998 0.259168 Na\n0.869602 0.743287 0.742257 Sb\n0.369602 0.256713 0.257743 Sb\n0.130398 0.256713 0.257743 Sb\n0.630398 0.743287 0.742257 Sb\n0.750000 0.285094 0.457963 H\n0.250000 0.714906 0.542037 H\n0.750000 0.454805 0.264565 H\n0.250000 0.545195 0.735435 H\n0.793442 0.225906 0.856033 H\n0.293442 0.774094 0.143967 H\n0.206558 0.774094 0.143967 H\n0.706558 0.225906 0.856033 H\n0.793529 0.826188 0.210150 H\n0.293529 0.173812 0.789850 H\n0.206471 0.173812 0.789850 H\n0.706471 0.826188 0.210150 H\n0.750000 0.295602 0.297929 O\n0.250000 0.704398 0.702071 O\n0.750000 0.268116 0.768025 O\n0.250000 0.731884 0.231975 O\n0.750000 0.738748 0.249981 O\n0.250000 0.261252 0.750019 O\n0.981432 0.777569 0.781876 F\n0.481432 0.222431 0.218124 F\n0.018568 0.222431 0.218124 F\n0.518568 0.777569 0.781876 F\n0.897075 0.983196 0.509103 F\n0.397075 0.016804 0.490897 F\n0.102925 0.016804 0.490897 F\n0.602925 0.983196 0.509103 F\n0.893690 0.507011 0.983780 F\n0.393690 0.492989 0.016220 F\n0.106310 0.492989 0.016220 F\n0.606310 0.507011 0.983780 F\n0.907401 0.516548 0.515437 F\n0.407401 0.483452 0.484563 F\n0.092599 0.483452 0.484563 F\n0.592599 0.516548 0.515437 F\n0.874315 0.987111 0.993852 F\n0.374315 0.012889 0.006148 F\n0.125685 0.012889 0.006148 F\n0.625685 0.987111 0.993852 F\n",
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{
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"structure_string": "Li6 Ta10 Cu4 O30\n1.0\n23.478732 -2.612448 0.000000\n23.478732 2.612448 0.000000\n23.188048 0.000000 4.515546\nLi Ta Cu O\n6 10 4 30\ndirect\n0.857294 0.857294 0.857294 Li\n0.658238 0.658238 0.658238 Li\n0.156845 0.156845 0.156845 Li\n0.058360 0.058360 0.058360 Li\n0.457879 0.457879 0.457879 Li\n0.258163 0.258163 0.258163 Li\n0.000976 0.000976 0.000976 Ta\n0.600804 0.600804 0.600804 Ta\n0.901627 0.901627 0.901627 Ta\n0.702022 0.702022 0.702022 Ta\n0.501022 0.501022 0.501022 Ta\n0.801277 0.801277 0.801277 Ta\n0.301847 0.301847 0.301847 Ta\n0.102218 0.102218 0.102218 Ta\n0.200680 0.200680 0.200680 Ta\n0.401169 0.401169 0.401169 Ta\n0.752275 0.752275 0.752275 Cu\n0.551786 0.551786 0.551786 Cu\n0.952068 0.952068 0.952068 Cu\n0.352138 0.352138 0.352138 Cu\n0.462534 0.225745 0.857612 O\n0.625304 0.251408 0.871513 O\n0.131343 0.358367 0.757898 O\n0.331038 0.557708 0.957972 O\n0.157655 0.558465 0.929865 O\n0.957972 0.358165 0.731035 O\n0.358165 0.731035 0.957972 O\n0.156948 0.528876 0.761322 O\n0.251408 0.871513 0.625304 O\n0.051559 0.672087 0.425510 O\n0.451097 0.071501 0.827235 O\n0.071501 0.827235 0.451097 O\n0.271861 0.025256 0.651660 O\n0.225745 0.857612 0.462534 O\n0.425510 0.051559 0.672087 O\n0.731035 0.957972 0.358165 O\n0.929865 0.157655 0.558465 O\n0.557708 0.957972 0.331038 O\n0.761322 0.156948 0.528876 O\n0.957972 0.331038 0.557708 O\n0.757898 0.131343 0.358367 O\n0.558465 0.929865 0.157655 O\n0.651660 0.271861 0.025256 O\n0.857612 0.462534 0.225745 O\n0.672087 0.425510 0.051559 O\n0.871513 0.625304 0.251408 O\n0.025256 0.651660 0.271861 O\n0.827235 0.451097 0.071501 O\n0.528876 0.761322 0.156948 O\n0.358367 0.757898 0.131343 O\n",
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{
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"structure_string": "Yb4 Se6 O40\n1.0\n3.621520 7.139657 0.000000\n-3.621520 7.139657 0.000000\n0.000000 2.678983 16.684075\nYb Se O\n4 6 40\ndirect\n0.783664 0.624672 0.112347 Yb\n0.375328 0.216336 0.387653 Yb\n0.216336 0.375328 0.887653 Yb\n0.624672 0.783664 0.612347 Yb\n0.785699 0.631216 0.411754 Se\n0.368784 0.214301 0.088246 Se\n0.214301 0.368784 0.588246 Se\n0.631216 0.785699 0.911754 Se\n0.806718 0.193282 0.250000 Se\n0.193282 0.806718 0.750000 Se\n0.987463 0.112312 0.315219 O\n0.887688 0.012537 0.184781 O\n0.012537 0.887688 0.684781 O\n0.112312 0.987463 0.815219 O\n0.752172 0.410828 0.197784 O\n0.589172 0.247828 0.302216 O\n0.247828 0.589172 0.802216 O\n0.410828 0.752172 0.697784 O\n0.766033 0.542215 0.508084 O\n0.457785 0.233967 0.991916 O\n0.233967 0.457785 0.491916 O\n0.542215 0.766033 0.008084 O\n0.458351 0.714090 0.319307 O\n0.285910 0.541649 0.180693 O\n0.541649 0.285910 0.680693 O\n0.714090 0.458351 0.819307 O\n0.041000 0.521665 0.386067 O\n0.478335 0.959000 0.113933 O\n0.959000 0.478335 0.613933 O\n0.521665 0.041000 0.886067 O\n0.111154 0.343575 0.083886 O\n0.656425 0.888846 0.416114 O\n0.888846 0.656425 0.916114 O\n0.343575 0.111154 0.583886 O\n0.350593 0.662260 0.356683 O\n0.337740 0.649407 0.143317 O\n0.649407 0.337740 0.643317 O\n0.662260 0.350593 0.856683 O\n0.853055 0.278211 0.015134 O\n0.721789 0.146945 0.484866 O\n0.146945 0.721789 0.984866 O\n0.278211 0.853055 0.515134 O\n0.781393 0.815611 0.209604 O\n0.184389 0.218607 0.290396 O\n0.218607 0.184389 0.790396 O\n0.815611 0.781393 0.709604 O\n0.214019 0.000812 0.464512 O\n0.999188 0.785981 0.035488 O\n0.785981 0.999188 0.535488 O\n0.000812 0.214019 0.964512 O\n",
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{
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{
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{
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{
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]
}