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{
"id": "mp-1244983",
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"structure_string": "Fe40 O40\n1.0\n10.625443 -0.815077 0.225835\n-0.794983 10.421934 -0.328808\n0.186648 -0.317377 9.938067\nFe O\n40 40\ndirect\n0.114982 0.855735 0.106376 Fe\n0.238320 0.645732 0.834401 Fe\n0.997912 0.057635 0.842628 Fe\n0.840013 0.980933 0.150545 Fe\n0.059962 0.983699 0.427887 Fe\n0.136866 0.854298 0.668495 Fe\n0.894985 0.566506 0.070166 Fe\n0.845537 0.754345 0.308046 Fe\n0.316216 0.468353 0.117156 Fe\n0.403274 0.416315 0.788998 Fe\n0.570079 0.448352 0.278073 Fe\n0.677809 0.304148 0.593623 Fe\n0.475229 0.789783 0.699670 Fe\n0.564726 0.938180 0.287790 Fe\n0.173049 0.183524 0.641788 Fe\n0.881988 0.269620 0.051153 Fe\n0.887619 0.384193 0.774986 Fe\n0.282457 0.951052 0.919888 Fe\n0.873391 0.197612 0.423023 Fe\n0.140320 0.670418 0.330634 Fe\n0.576025 0.963797 0.989974 Fe\n0.457876 0.692797 0.356420 Fe\n0.729171 0.096475 0.773076 Fe\n0.124692 0.335329 0.898451 Fe\n0.347343 0.506927 0.536795 Fe\n0.715457 0.812888 0.838142 Fe\n0.685444 0.580327 0.559068 Fe\n0.317297 0.911186 0.445764 Fe\n0.398625 0.767762 0.092028 Fe\n0.601525 0.308793 0.972058 Fe\n0.957426 0.737631 0.864804 Fe\n0.649712 0.189309 0.264611 Fe\n0.676970 0.920278 0.538347 Fe\n0.997698 0.540907 0.574869 Fe\n0.619169 0.607441 0.028070 Fe\n0.835509 0.481928 0.341477 Fe\n0.134480 0.356480 0.396184 Fe\n0.121102 0.154850 0.176337 Fe\n0.416282 0.105716 0.155765 Fe\n0.418246 0.208408 0.506809 Fe\n0.388639 0.585544 0.718316 O\n0.536136 0.459084 0.919131 O\n0.064123 0.660599 0.729293 O\n0.963407 0.622129 0.257110 O\n0.245217 0.038553 0.097658 O\n0.277429 0.064024 0.555032 O\n0.040891 0.017340 0.651193 O\n0.793539 0.665026 0.937032 O\n0.524144 0.552626 0.446474 O\n0.526347 0.282967 0.152278 O\n0.689745 0.350799 0.394970 O\n0.778380 0.973050 0.962555 O\n0.262553 0.316964 0.517099 O\n0.549385 0.754909 0.966217 O\n0.669028 0.759690 0.649025 O\n0.195324 0.350220 0.214248 O\n0.959682 0.387060 0.437663 O\n0.299967 0.830799 0.766205 O\n0.029507 0.273153 0.735228 O\n0.747209 0.122343 0.570126 O\n0.985490 0.911909 0.236983 O\n0.059334 0.163096 0.376885 O\n0.756659 0.256982 0.892976 O\n0.578507 0.967952 0.787324 O\n0.255687 0.486917 0.935840 O\n0.488140 0.850063 0.483422 O\n0.316639 0.775633 0.276311 O\n0.504906 0.328179 0.652882 O\n0.484467 0.096279 0.352502 O\n0.730579 0.886641 0.325034 O\n0.042788 0.187071 0.000426 O\n0.179190 0.542576 0.465274 O\n0.973858 0.431419 0.962042 O\n0.803935 0.481575 0.650436 O\n0.267873 0.260122 0.802603 O\n0.066151 0.901018 0.910140 O\n0.466950 0.590552 0.171502 O\n0.719730 0.553482 0.169467 O\n0.828117 0.175747 0.215848 O\n0.126736 0.825737 0.464301 O\n",
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"spacegroup": 1
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{
"id": "mp-881290",
"created_at": "2022-09-04T14:40:23.016691Z",
"structure_string": "La8 Ni4 O17\n1.0\n6.902717 0.000000 0.000000\n-2.222315 7.470222 0.000000\n-1.109066 -4.333954 7.447760\nLa Ni O\n8 4 17\ndirect\n0.717005 0.918357 0.172142 La\n0.707301 0.414259 0.175453 La\n0.279817 0.835539 0.326721 La\n0.274532 0.345115 0.318443 La\n0.723762 0.652626 0.686687 La\n0.713078 0.158971 0.678319 La\n0.285848 0.086212 0.823063 La\n0.288598 0.603001 0.813669 La\n0.995051 0.257027 0.494997 Ni\n0.992708 0.749811 0.499044 Ni\n0.000521 0.004689 0.998297 Ni\n0.005478 0.489101 0.006376 Ni\n0.341428 0.937348 0.082063 O\n0.342902 0.369264 0.154572 O\n0.969313 0.630971 0.239332 O\n0.971199 0.125779 0.246272 O\n0.657737 0.278926 0.425048 O\n0.653756 0.795307 0.413042 O\n0.010296 0.501266 0.500744 O\n0.343681 0.309123 0.518625 O\n0.341474 0.703049 0.587070 O\n0.011017 0.990829 0.508713 O\n0.009667 0.876933 0.752852 O\n0.663010 0.107340 0.912509 O\n0.491738 0.812475 0.873088 O\n0.664533 0.486906 0.912233 O\n0.983372 0.374737 0.744844 O\n0.054037 0.248446 0.009966 O\n0.974990 0.753107 0.992780 O\n",
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"formula_full": "La8 Ni4 O17",
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"formula_anonymous": "A4B8C17",
"energy": -190.55502254,
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{
"id": "mp-766258",
"created_at": "2022-09-04T14:40:23.053164Z",
"structure_string": "Y13 Tm3 O24\n1.0\n9.235812 0.000000 0.000000\n-3.073153 8.715070 0.000000\n-3.078123 -4.354522 7.551032\nY Tm O\n13 3 24\ndirect\n0.031990 0.281572 0.249679 Y\n0.998985 0.500280 0.999980 Y\n0.283381 0.248730 0.032630 Y\n0.216255 0.750747 0.467523 Y\n0.750033 0.534185 0.282804 Y\n0.749744 0.032714 0.783626 Y\n0.500456 0.500536 0.500961 Y\n0.465790 0.216110 0.750468 Y\n0.535008 0.784624 0.249108 Y\n0.250689 0.466868 0.717237 Y\n0.249214 0.966207 0.216029 Y\n0.783749 0.249248 0.532526 Y\n0.966852 0.717731 0.750340 Y\n0.999665 0.999742 0.498591 Tm\n0.500453 0.999359 0.999898 Tm\n0.716043 0.751258 0.966722 Tm\n0.957299 0.489673 0.228733 O\n0.543230 0.267901 0.032993 O\n0.270960 0.542032 0.510161 O\n0.964502 0.739305 0.010083 O\n0.774674 0.765055 0.228056 O\n0.466685 0.956844 0.731843 O\n0.235702 0.010478 0.467321 O\n0.261719 0.229043 0.271817 O\n0.008948 0.775315 0.542452 O\n0.489835 0.532735 0.260796 O\n0.767984 0.029752 0.042445 O\n0.728153 0.270692 0.760279 O\n0.271337 0.728952 0.238805 O\n0.232196 0.966255 0.957004 O\n0.513677 0.471342 0.743464 O\n0.990424 0.225055 0.457356 O\n0.764630 0.989043 0.532563 O\n0.737866 0.770888 0.731226 O\n0.224860 0.234791 0.767987 O\n0.533263 0.043132 0.268109 O\n0.728993 0.457963 0.489778 O\n0.031797 0.260891 0.989805 O\n0.459863 0.732137 0.966721 O\n0.043098 0.510816 0.772083 O\n",
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{
"id": "mp-754775",
"created_at": "2022-09-04T14:40:23.073505Z",
"structure_string": "Co6 O5 F7\n1.0\n4.611289 0.000000 0.000000\n-0.011411 5.557322 0.000000\n-0.304941 -0.332872 7.684325\nCo O F\n6 5 7\ndirect\n0.478143 0.499575 0.002914 Co\n0.542769 0.821069 0.354646 Co\n0.468421 0.159278 0.670368 Co\n0.015015 0.662084 0.676262 Co\n0.986864 0.352292 0.306662 Co\n0.035346 0.016857 0.988062 Co\n0.190751 0.946370 0.767622 O\n0.200421 0.307900 0.093956 O\n0.292858 0.465785 0.775004 O\n0.707172 0.860309 0.566881 O\n0.686635 0.529157 0.226663 O\n0.198786 0.629541 0.428830 F\n0.302681 0.812807 0.120809 F\n0.293804 0.137539 0.422739 F\n0.698570 0.195964 0.896849 F\n0.808494 0.034761 0.226347 F\n0.783560 0.697496 0.911625 F\n0.809709 0.371217 0.563759 F\n",
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"density": 4.777718272960819,
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"formula_full": "Co6 O5 F7",
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{
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"structure_string": "Mg1 W4 O8\n1.0\n3.247064 0.000000 0.000000\n-1.591461 7.582111 0.000000\n-1.583991 -1.176045 7.629948\nMg W O\n1 4 8\ndirect\n0.462207 0.142433 0.787553 Mg\n0.802136 0.166642 0.430894 W\n0.662146 0.509172 0.798267 W\n0.321676 0.481793 0.165725 W\n0.148884 0.803872 0.510461 W\n0.516576 0.660603 0.384036 O\n0.775649 0.326565 0.243417 O\n0.189713 0.649184 0.716456 O\n0.455695 0.293516 0.576887 O\n0.160940 0.011928 0.337991 O\n0.118625 0.320905 0.902907 O\n0.812667 0.998228 0.643516 O\n0.844957 0.611266 0.071243 O\n",
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{
"id": "mp-1373205",
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"structure_string": "Mn4 Nb8 Zn6 O32\n1.0\n5.190112 0.067401 -0.037254\n0.132420 11.200334 -3.987354\n-0.023365 -0.331082 10.437075\nMn Nb Zn O\n4 8 6 32\ndirect\n0.753792 0.822697 0.005833 Mn\n0.242224 0.174758 0.002830 Mn\n0.753769 0.322599 0.005998 Mn\n0.242057 0.674665 0.002871 Mn\n0.745361 0.138778 0.222974 Nb\n0.745165 0.638853 0.222922 Nb\n0.760713 0.017826 0.748090 Nb\n0.760590 0.517798 0.748076 Nb\n0.268231 0.363740 0.780817 Nb\n0.268306 0.863724 0.780793 Nb\n0.240183 0.478677 0.252824 Nb\n0.240250 0.978632 0.252769 Nb\n0.767338 0.203363 0.534272 Zn\n0.767339 0.703357 0.534265 Zn\n0.223395 0.287629 0.444526 Zn\n0.223338 0.787697 0.444550 Zn\n0.279896 0.059755 0.564559 Zn\n0.279821 0.559727 0.564599 Zn\n0.069702 0.085649 0.132598 O\n0.069612 0.585638 0.132628 O\n0.422106 0.032888 0.867759 O\n0.422062 0.532884 0.867764 O\n0.940866 0.411186 0.863879 O\n0.940874 0.911181 0.863866 O\n0.584533 0.466704 0.135208 O\n0.584553 0.966687 0.135172 O\n0.553352 0.213418 0.114251 O\n0.553311 0.713485 0.114097 O\n0.920334 0.163881 0.894985 O\n0.920388 0.663847 0.894947 O\n0.440269 0.289273 0.889790 O\n0.440253 0.789261 0.889760 O\n0.077371 0.333490 0.111025 O\n0.077324 0.833487 0.111001 O\n0.434093 0.138078 0.354829 O\n0.433961 0.638144 0.354786 O\n0.083476 0.464832 0.650533 O\n0.083526 0.964836 0.650496 O\n0.349732 0.416794 0.388868 O\n0.349737 0.916806 0.388849 O\n0.144328 0.227061 0.612691 O\n0.144339 0.727051 0.612686 O\n0.637798 0.099659 0.633907 O\n0.637789 0.599664 0.633901 O\n0.859484 0.269658 0.381429 O\n0.859454 0.769656 0.381419 O\n0.935748 0.044845 0.351836 O\n0.935706 0.544873 0.351869 O\n0.581497 0.361638 0.651425 O\n0.581526 0.861679 0.651458 O\n",
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"formula_full": "Mn4 Nb8 Zn6 O32",
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{
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