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{
"id": "mp-850984",
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"structure_string": "Mn6 O6 F6\n1.0\n4.621420 0.000000 0.000000\n0.000000 4.633280 0.000000\n0.000000 0.000000 9.562060\nMn O F\n6 6 6\ndirect\n0.777895 0.017778 0.667313 Mn\n0.777895 0.017778 0.332687 Mn\n0.724229 0.953549 0.000000 Mn\n0.222105 0.517778 0.832687 Mn\n0.275771 0.453549 0.500000 Mn\n0.222105 0.517778 0.167313 Mn\n0.926591 0.811511 0.170776 O\n0.926591 0.811511 0.829224 O\n0.409459 0.690928 0.000000 O\n0.073409 0.311511 0.670776 O\n0.073409 0.311511 0.329224 O\n0.590541 0.190928 0.500000 O\n0.998160 0.781194 0.500000 F\n0.477215 0.707875 0.659568 F\n0.477215 0.707875 0.340432 F\n0.001840 0.281194 0.000000 F\n0.522785 0.207875 0.159568 F\n0.522785 0.207875 0.840432 F\n",
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{
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"structure_string": "Li4 Fe4 P8 H4 O28\n1.0\n6.571730 0.000000 0.000000\n-1.818714 -8.554242 0.000000\n-3.195601 0.605583 -9.400026\nLi Fe P H O\n4 4 8 4 28\ndirect\n0.281500 0.031234 0.373086 Li\n0.718500 0.968766 0.626914 Li\n0.323065 0.508898 0.878464 Li\n0.676935 0.491102 0.121536 Li\n0.164598 0.414380 0.310539 Fe\n0.391758 0.972797 0.774476 Fe\n0.835402 0.585620 0.689461 Fe\n0.608242 0.027203 0.225524 Fe\n0.211283 0.246140 0.638816 P\n0.788717 0.753860 0.361184 P\n0.232632 0.706169 0.554559 P\n0.259383 0.231794 0.073473 P\n0.767368 0.293831 0.445441 P\n0.740617 0.768206 0.926527 P\n0.173152 0.742341 0.127452 P\n0.826848 0.257659 0.872548 P\n0.556191 0.692152 0.485902 H\n0.600128 0.214544 0.003713 H\n0.443809 0.307848 0.514098 H\n0.399872 0.785456 0.996287 H\n0.286793 0.240276 0.499823 O\n0.629332 0.124137 0.424984 O\n0.855748 0.922460 0.320495 O\n0.629228 0.637609 0.249867 O\n0.144252 0.077540 0.679505 O\n0.664908 0.135784 0.758143 O\n0.370668 0.875863 0.575016 O\n0.713207 0.759724 0.500177 O\n0.012516 0.694754 0.421288 O\n0.837787 0.335004 0.314180 O\n0.342934 0.591534 0.500730 O\n0.029424 0.172908 0.943843 O\n0.791116 0.782177 0.784866 O\n0.403229 0.114344 0.059402 O\n0.657066 0.408466 0.499270 O\n0.162213 0.664996 0.685820 O\n0.987484 0.305246 0.578712 O\n0.596771 0.885656 0.940598 O\n0.208884 0.217823 0.215134 O\n0.970576 0.827092 0.056157 O\n0.260061 0.714620 0.000934 O\n0.639474 0.604862 0.950350 O\n0.370772 0.362391 0.750133 O\n0.913484 0.413876 0.822563 O\n0.335092 0.864216 0.241857 O\n0.086516 0.586124 0.177437 O\n0.360526 0.395138 0.049650 O\n0.739939 0.285380 0.999066 O\n",
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"formula_full": "Li4 Fe4 P8 H4 O28",
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{
"id": "mp-850986",
"created_at": "2022-09-04T14:42:44.066210Z",
"structure_string": "Li6 Co6 O5 F11\n1.0\n2.972125 5.250240 0.000000\n-2.972125 5.250240 0.000000\n0.000000 3.569278 9.883987\nLi Co O F\n6 6 5 11\ndirect\n0.376255 0.376255 0.873817 Li\n0.194728 0.194728 0.445327 Li\n0.502368 0.502368 0.506235 Li\n0.868313 0.868313 0.375410 Li\n0.440511 0.440511 0.190533 Li\n0.008849 0.008849 0.993269 Li\n0.930358 0.930358 0.687891 Co\n0.694047 0.694047 0.917145 Co\n0.970163 0.424894 0.183490 Co\n0.475595 0.921007 0.688982 Co\n0.921007 0.475595 0.688982 Co\n0.424894 0.970163 0.183490 Co\n0.575217 0.575217 0.812735 O\n0.571114 0.042936 0.812137 O\n0.042936 0.571114 0.812137 O\n0.306854 0.306854 0.077699 O\n0.812207 0.812207 0.568831 O\n0.072536 0.072536 0.796249 F\n0.304172 0.839986 0.569521 F\n0.839986 0.304172 0.569521 F\n0.070070 0.542321 0.308365 F\n0.542321 0.070070 0.308365 F\n0.068125 0.068125 0.316109 F\n0.805750 0.805750 0.066334 F\n0.585803 0.585803 0.290100 F\n0.302858 0.302858 0.569807 F\n0.804571 0.340616 0.071299 F\n0.340616 0.804571 0.071299 F\n",
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"formula_full": "Li6 Co6 O5 F11",
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{
"id": "mp-850988",
"created_at": "2022-09-04T14:41:35.569543Z",
"structure_string": "Co6 O4 F8\n1.0\n5.507601 0.000000 0.000000\n1.718876 5.301071 0.000000\n2.025023 1.440819 6.689898\nCo O F\n6 4 8\ndirect\n0.694261 0.678089 0.840588 Co\n0.691785 0.632310 0.322183 Co\n0.308215 0.367690 0.677817 Co\n0.305739 0.321911 0.159412 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.022303 0.666711 0.668279 O\n0.209857 0.235458 0.967884 O\n0.790143 0.764542 0.032116 O\n0.977697 0.333289 0.331721 O\n0.377256 0.942029 0.336681 F\n0.581844 0.574203 0.634080 F\n0.910010 0.889222 0.297320 F\n0.418156 0.425797 0.365920 F\n0.089990 0.110778 0.702680 F\n0.622744 0.057971 0.663319 F\n0.321022 0.703806 0.993694 F\n0.678978 0.296194 0.006306 F\n",
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{
"id": "mp-850989",
"created_at": "2022-09-04T14:45:42.352863Z",
"structure_string": "V6 O9 F9\n1.0\n-5.232074 0.000000 0.000000\n2.573677 4.564057 0.000000\n-0.081728 -0.186840 -13.283820\nV O F\n6 9 9\ndirect\n0.022421 0.988671 0.490504 V\n0.993507 0.971403 0.993130 V\n0.321341 0.633294 0.819384 V\n0.680929 0.308395 0.660227 V\n0.379791 0.655999 0.332703 V\n0.699449 0.362734 0.151936 V\n0.001024 0.430918 0.756642 O\n0.096900 0.778934 0.919132 O\n0.761488 0.100790 0.584443 O\n0.425153 0.433273 0.252411 O\n0.556601 0.568534 0.753777 O\n0.229550 0.901445 0.417560 O\n0.889599 0.237457 0.086530 O\n0.660828 0.759082 0.414463 O\n0.753120 0.658815 0.086431 O\n0.408771 0.995641 0.752745 F\n0.086656 0.342811 0.415209 F\n0.324689 0.090802 0.092685 F\n0.253365 0.359230 0.924036 F\n0.335255 0.260990 0.584034 F\n0.985099 0.564877 0.252880 F\n0.557572 0.992907 0.252881 F\n0.657689 0.921654 0.915040 F\n0.919205 0.681346 0.591219 F\n",
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{
"id": "mp-850991",
"created_at": "2022-09-04T14:47:10.705385Z",
"structure_string": "Mn12 O14 F10\n1.0\n4.673927 0.000000 0.000000\n0.435321 5.673759 0.000000\n0.035802 0.069060 15.194904\nMn O F\n12 14 10\ndirect\n0.981957 0.831095 0.421718 Mn\n0.974198 0.146414 0.245212 Mn\n0.013351 0.850711 0.083606 Mn\n0.980134 0.831533 0.747670 Mn\n0.978788 0.158029 0.583179 Mn\n0.966763 0.144169 0.912232 Mn\n0.531699 0.657609 0.590376 Mn\n0.532647 0.658414 0.923456 Mn\n0.467150 0.648193 0.255366 Mn\n0.517886 0.351172 0.078395 Mn\n0.522129 0.360004 0.416294 Mn\n0.512960 0.368986 0.751910 Mn\n0.789061 0.888915 0.638288 O\n0.793972 0.891209 0.972289 O\n0.771216 0.115220 0.134937 O\n0.775291 0.112881 0.473336 O\n0.763272 0.111844 0.805436 O\n0.715682 0.386111 0.304472 O\n0.727848 0.608271 0.480291 O\n0.730433 0.391697 0.645427 O\n0.714961 0.603493 0.811126 O\n0.740452 0.384529 0.972611 O\n0.295439 0.622766 0.026581 O\n0.260276 0.604046 0.364233 O\n0.282448 0.621729 0.693381 O\n0.217257 0.885095 0.194762 O\n0.743508 0.886499 0.309797 F\n0.725734 0.619505 0.149943 F\n0.264305 0.378433 0.182955 F\n0.270149 0.377172 0.525983 F\n0.252200 0.370279 0.856871 F\n0.258313 0.886750 0.531018 F\n0.215121 0.108106 0.356881 F\n0.234957 0.126332 0.011475 F\n0.233901 0.875132 0.856674 F\n0.244544 0.137655 0.691816 F\n",
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{
"id": "mp-850992",
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"structure_string": "Mn12 O7 F17\n1.0\n4.805353 0.000000 0.000000\n0.300300 5.793543 0.000000\n0.176929 0.320243 15.837947\nMn O F\n12 7 17\ndirect\n0.991348 0.148433 0.417566 Mn\n0.022121 0.839315 0.237455 Mn\n0.009948 0.158980 0.073780 Mn\n0.048940 0.195174 0.757164 Mn\n0.030940 0.823290 0.583470 Mn\n0.993021 0.855567 0.917266 Mn\n0.491744 0.348768 0.586496 Mn\n0.484607 0.336405 0.924260 Mn\n0.525270 0.335408 0.259670 Mn\n0.487657 0.650257 0.082808 Mn\n0.498496 0.658442 0.417455 Mn\n0.498730 0.638877 0.750654 Mn\n0.199446 0.125738 0.967691 O\n0.231523 0.890227 0.126900 O\n0.218804 0.883647 0.468211 O\n0.293189 0.592793 0.643609 O\n0.304446 0.407951 0.812152 O\n0.702350 0.385131 0.027938 O\n0.720883 0.386254 0.370712 O\n0.219858 0.116965 0.306755 F\n0.241486 0.102860 0.639653 F\n0.242934 0.894682 0.806329 F\n0.268474 0.397945 0.149862 F\n0.272826 0.618001 0.311878 F\n0.251154 0.383188 0.478675 F\n0.246969 0.615997 0.978013 F\n0.721471 0.617218 0.194659 F\n0.723357 0.615466 0.524986 F\n0.730428 0.621621 0.858406 F\n0.753219 0.369203 0.685276 F\n0.788283 0.128096 0.184141 F\n0.760572 0.114087 0.531858 F\n0.760557 0.895607 0.351949 F\n0.736548 0.879715 0.025490 F\n0.758084 0.117297 0.854165 F\n0.770314 0.851400 0.692652 F\n",
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{
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"structure_string": "Li2 Mn8 P6 O24\n1.0\n4.829186 -8.364396 0.000000\n4.829186 8.364396 0.000000\n0.000000 0.000000 6.209399\nLi Mn P O\n2 8 6 24\ndirect\n0.333333 0.666667 0.028041 Li\n0.666667 0.333333 0.528041 Li\n0.963919 0.696491 0.249222 Mn\n0.333333 0.666667 0.492463 Mn\n0.303509 0.267428 0.249222 Mn\n0.732572 0.036081 0.249222 Mn\n0.267428 0.963919 0.749222 Mn\n0.696491 0.732572 0.749222 Mn\n0.666667 0.333333 0.992463 Mn\n0.036081 0.303509 0.749222 Mn\n0.018965 0.630395 0.749851 P\n0.611430 0.981035 0.749851 P\n0.369605 0.388570 0.749851 P\n0.630395 0.611430 0.249851 P\n0.388570 0.018965 0.249851 P\n0.981035 0.369605 0.249851 P\n0.066741 0.748820 0.554903 O\n0.070911 0.747379 0.945732 O\n0.131058 0.555606 0.740448 O\n0.343832 0.843042 0.253034 O\n0.156958 0.500790 0.253034 O\n0.424549 0.868942 0.740448 O\n0.252621 0.323532 0.945732 O\n0.251180 0.317921 0.554903 O\n0.499210 0.656168 0.253034 O\n0.444394 0.575451 0.740448 O\n0.676468 0.929089 0.945732 O\n0.682079 0.933259 0.554903 O\n0.323532 0.070911 0.445732 O\n0.317921 0.066741 0.054903 O\n0.555606 0.424549 0.240448 O\n0.500790 0.343832 0.753034 O\n0.748820 0.682079 0.054903 O\n0.747379 0.676468 0.445732 O\n0.575451 0.131058 0.240448 O\n0.843042 0.499210 0.753034 O\n0.656168 0.156958 0.753034 O\n0.868942 0.444394 0.240448 O\n0.933259 0.251180 0.054903 O\n0.929089 0.252621 0.445732 O\n",
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{
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"structure_string": "Li4 Mn8 B8 O24\n1.0\n5.819303 0.000000 0.000000\n2.324266 8.932755 0.000000\n1.605087 1.296312 9.655983\nLi Mn B O\n4 8 8 24\ndirect\n0.285144 0.807453 0.885338 Li\n0.714856 0.192547 0.114662 Li\n0.442738 0.691189 0.365908 Li\n0.557262 0.308811 0.634092 Li\n0.889422 0.408531 0.861771 Mn\n0.875577 0.098753 0.375967 Mn\n0.344605 0.130331 0.895875 Mn\n0.110578 0.591469 0.138229 Mn\n0.379587 0.357434 0.374717 Mn\n0.124423 0.901247 0.624033 Mn\n0.655395 0.869669 0.104125 Mn\n0.620413 0.642566 0.625283 Mn\n0.884085 0.054796 0.873149 B\n0.844837 0.443306 0.392528 B\n0.364051 0.471589 0.881136 B\n0.115915 0.945204 0.126851 B\n0.403720 0.026682 0.351125 B\n0.155163 0.556694 0.607472 B\n0.635949 0.528411 0.118864 B\n0.596280 0.973318 0.648875 B\n0.001346 0.172789 0.848228 O\n0.769219 0.639508 0.090900 O\n0.024921 0.078211 0.179345 O\n0.746768 0.578708 0.439024 O\n0.975079 0.921789 0.820655 O\n0.055318 0.425339 0.298065 O\n0.801389 0.945905 0.551049 O\n0.230781 0.360492 0.909100 O\n0.998654 0.827211 0.151772 O\n0.198611 0.054095 0.448951 O\n0.944682 0.574661 0.701935 O\n0.290909 0.599824 0.941377 O\n0.253232 0.421292 0.560976 O\n0.569786 0.446667 0.782293 O\n0.323804 0.927298 0.028462 O\n0.530950 0.143263 0.314107 O\n0.266786 0.678866 0.570917 O\n0.676196 0.072702 0.971538 O\n0.430214 0.553333 0.217707 O\n0.521214 0.105481 0.700989 O\n0.709091 0.400176 0.058623 O\n0.478786 0.894519 0.299011 O\n0.733214 0.321134 0.429083 O\n0.469050 0.856737 0.685893 O\n",
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"formula_full": "Li4 Mn8 B8 O24",
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{
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"structure_string": "Na8 V4 C8 S2 O32\n1.0\n0.000000 6.948347 7.205205\n6.918842 0.000000 7.205205\n6.918842 6.948347 0.000000\nNa V C S O\n8 4 8 2 32\ndirect\n0.290728 0.709272 0.709272 Na\n0.708842 0.291158 0.708842 Na\n0.958842 0.541158 0.958842 Na\n0.540728 0.959272 0.959272 Na\n0.709272 0.290728 0.290728 Na\n0.291158 0.708842 0.291158 Na\n0.541158 0.958842 0.541158 Na\n0.959272 0.540728 0.540728 Na\n0.125000 0.125000 0.625000 V\n0.125000 0.125000 0.125000 V\n0.125000 0.625000 0.125000 V\n0.625000 0.125000 0.125000 V\n0.332674 0.335673 0.984945 C\n0.914327 0.917326 0.903291 C\n0.346709 0.984945 0.335673 C\n0.984945 0.346709 0.332674 C\n0.265055 0.903291 0.917326 C\n0.903291 0.265055 0.914327 C\n0.335673 0.332674 0.346709 C\n0.917326 0.914327 0.265055 C\n0.750000 0.750000 0.750000 S\n0.500000 0.500000 0.500000 S\n0.300813 0.480981 0.981106 O\n0.934761 0.681998 0.691205 O\n0.218469 0.307545 0.988673 O\n0.942455 0.031531 0.764686 O\n0.485314 0.988673 0.307545 O\n0.026834 0.771114 0.930248 O\n0.692036 0.691205 0.681998 O\n0.681998 0.934761 0.692036 O\n0.930248 0.271804 0.026834 O\n0.988673 0.485314 0.218469 O\n0.769019 0.949187 0.012900 O\n0.691205 0.692036 0.934761 O\n0.237100 0.981106 0.480981 O\n0.981106 0.237100 0.300813 O\n0.478886 0.223166 0.978196 O\n0.271804 0.930248 0.771114 O\n0.978196 0.319752 0.478886 O\n0.771114 0.026834 0.271804 O\n0.268894 0.012900 0.949187 O\n0.012900 0.268894 0.769019 O\n0.558795 0.557964 0.315239 O\n0.480981 0.300813 0.237100 O\n0.261327 0.764686 0.031531 O\n0.319752 0.978196 0.223166 O\n0.568002 0.315239 0.557964 O\n0.557964 0.558795 0.568002 O\n0.223166 0.478886 0.319752 O\n0.764686 0.261327 0.942455 O\n0.307545 0.218469 0.485314 O\n0.031531 0.942455 0.261327 O\n0.315239 0.568002 0.558795 O\n0.949187 0.769019 0.268894 O\n",
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"formula_full": "Na8 V4 C8 S2 O32",
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"updated_at": "2021-11-28T01:37:01.790000Z",
"spacegroup": 70
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{
"id": "mp-850996",
"created_at": "2022-09-04T14:41:48.607321Z",
"structure_string": "Fe8 O14 F2\n1.0\n5.521527 0.000000 0.000000\n1.614724 5.284535 0.000000\n0.645269 0.482355 8.855288\nFe O F\n8 14 2\ndirect\n0.113746 0.125252 0.381649 Fe\n0.372739 0.388006 0.118298 Fe\n0.491277 0.498635 0.497485 Fe\n0.261046 0.260916 0.751605 Fe\n0.768716 0.727009 0.248827 Fe\n0.629578 0.632336 0.875622 Fe\n0.861400 0.865704 0.616905 Fe\n0.001075 0.008524 0.010206 Fe\n0.066613 0.426812 0.250731 O\n0.182401 0.808542 0.502881 O\n0.277240 0.279529 0.528036 O\n0.526399 0.524224 0.278539 O\n0.785036 0.779891 0.032300 O\n0.474965 0.482229 0.714965 O\n0.223472 0.225070 0.971252 O\n0.712590 0.710913 0.466384 O\n0.970810 0.965114 0.229910 O\n0.559913 0.945113 0.750303 O\n0.796869 0.186088 0.506021 O\n0.312303 0.705236 0.993305 O\n0.941490 0.562536 0.750290 O\n0.695250 0.314397 0.996852 O\n0.447759 0.046928 0.250095 F\n0.027312 0.030994 0.777536 F\n",
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{
"id": "mp-850998",
"created_at": "2022-09-04T14:39:43.734190Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.299488 0.000000 0.000000\n-2.334835 5.355215 0.000000\n-0.240928 -1.868260 13.188155\nLi Mn B O\n4 6 6 18\ndirect\n0.748308 0.806640 0.143388 Li\n0.251692 0.193360 0.856612 Li\n0.404135 0.166901 0.478881 Li\n0.595865 0.833099 0.521119 Li\n0.228188 0.780445 0.033711 Mn\n0.771812 0.219555 0.966289 Mn\n0.434448 0.536815 0.292867 Mn\n0.885126 0.116738 0.362603 Mn\n0.565552 0.463185 0.707133 Mn\n0.114874 0.883262 0.637397 Mn\n0.014776 0.672795 0.413389 B\n0.656254 0.668279 0.927106 B\n0.343746 0.331721 0.072894 B\n0.985224 0.327205 0.586611 B\n0.674906 0.003381 0.747891 B\n0.325094 0.996619 0.252109 B\n0.782899 0.729154 0.403435 O\n0.863628 0.587399 0.945595 O\n0.639736 0.854051 0.003119 O\n0.217181 0.798374 0.491142 O\n0.462311 0.557224 0.848820 O\n0.050558 0.496129 0.342064 O\n0.136372 0.412601 0.054405 O\n0.949442 0.503871 0.657936 O\n0.537689 0.442776 0.151180 O\n0.782819 0.201626 0.508858 O\n0.360264 0.145949 0.996881 O\n0.217101 0.270846 0.596565 O\n0.305303 0.167109 0.333181 O\n0.866028 0.088963 0.827977 O\n0.133972 0.911037 0.172023 O\n0.694697 0.832891 0.666819 O\n0.458290 0.083427 0.741317 O\n0.541710 0.916573 0.258683 O\n",
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"formula_full": "Li4 Mn6 B6 O18",
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}
]
}