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{
"id": "mp-1348431",
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"structure_string": "Mg4 Mo4 F20\n1.0\n10.251547 0.000000 0.000000\n0.000000 5.300278 0.000000\n0.000000 2.476355 7.470917\nMg Mo F\n4 4 20\ndirect\n0.001919 0.509305 0.284605 Mg\n0.501919 0.490695 0.215395 Mg\n0.998081 0.490695 0.715395 Mg\n0.498081 0.509305 0.784605 Mg\n0.757513 0.094551 0.121824 Mo\n0.257513 0.905449 0.378176 Mo\n0.242487 0.905449 0.878176 Mo\n0.742487 0.094551 0.621824 Mo\n0.890871 0.398443 0.114228 F\n0.390871 0.601557 0.385772 F\n0.109129 0.601557 0.885772 F\n0.609129 0.398443 0.614228 F\n0.600836 0.354636 0.011864 F\n0.100836 0.645364 0.488136 F\n0.399164 0.645364 0.988136 F\n0.899164 0.354636 0.511864 F\n0.410766 0.156942 0.273171 F\n0.910766 0.843058 0.226829 F\n0.589234 0.843058 0.726829 F\n0.089234 0.156942 0.773171 F\n0.133552 0.234208 0.339134 F\n0.633552 0.765792 0.160866 F\n0.866448 0.765792 0.660866 F\n0.366448 0.234208 0.839134 F\n0.674959 0.141908 0.358254 F\n0.174959 0.858092 0.141746 F\n0.325041 0.858092 0.641746 F\n0.825041 0.141908 0.858254 F\n",
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{
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"structure_string": "Li18 V6 P16 O58\n1.0\n9.916862 0.000000 0.000000\n4.957594 8.597570 0.000000\n0.044565 0.026769 13.773482\nLi V P O\n18 6 16 58\ndirect\n0.904145 0.329935 0.938213 Li\n0.761408 0.329130 0.426582 Li\n0.908292 0.773359 0.436021 Li\n0.668506 0.667095 0.622560 Li\n0.667899 0.636748 0.119101 Li\n0.771098 0.899524 0.939079 Li\n0.329329 0.766468 0.935320 Li\n0.653056 0.103480 0.565565 Li\n0.668762 0.236484 0.074990 Li\n0.230758 0.103485 0.060115 Li\n0.562420 0.427587 0.243569 Li\n0.366744 0.330850 0.378215 Li\n0.332234 0.334453 0.879821 Li\n0.099737 0.235865 0.562610 Li\n0.231713 0.666079 0.564570 Li\n0.102675 0.666821 0.066540 Li\n0.994560 0.002639 0.013233 Li\n0.924322 0.036587 0.496098 Li\n0.569914 0.999136 0.754107 V\n0.432375 0.006630 0.238801 V\n0.365543 0.881156 0.437391 V\n0.436759 0.562562 0.749405 V\n0.998717 0.435990 0.749264 V\n0.004850 0.562939 0.252892 V\n0.912046 0.313546 0.157958 P\n0.775031 0.312956 0.656014 P\n0.910357 0.775166 0.654246 P\n0.667343 0.666381 0.876740 P\n0.660717 0.673778 0.379121 P\n0.777379 0.909947 0.156916 P\n0.680963 0.089770 0.345245 P\n0.320442 0.773603 0.150388 P\n0.685883 0.226592 0.847282 P\n0.329989 0.904679 0.657701 P\n0.226149 0.091347 0.841436 P\n0.333559 0.331500 0.622376 P\n0.327339 0.334945 0.119698 P\n0.089072 0.223111 0.346993 P\n0.236757 0.676067 0.338416 P\n0.090530 0.682281 0.843202 P\n0.997856 0.219168 0.435528 O\n0.921769 0.327452 0.653203 O\n0.775871 0.229679 0.935203 O\n0.754093 0.328084 0.157904 O\n0.895706 0.476520 0.174678 O\n0.811987 0.514563 0.836650 O\n0.889068 0.631583 0.662031 O\n0.998368 0.770218 0.932185 O\n0.921739 0.747289 0.157591 O\n0.681803 0.515823 0.360314 O\n0.630799 0.476750 0.663351 O\n0.809008 0.682777 0.359796 O\n0.666766 0.666267 0.985946 O\n0.585635 0.739004 0.484538 O\n0.678079 0.810782 0.839414 O\n0.480312 0.632415 0.157458 O\n0.516433 0.673226 0.835869 O\n0.750907 0.924136 0.655675 O\n0.788908 0.995139 0.253320 O\n0.767648 0.995969 0.436308 O\n0.783772 0.001180 0.068784 O\n0.629323 0.897256 0.161915 O\n0.515137 0.804322 0.320020 O\n0.673826 0.078448 0.847741 O\n0.494378 0.875471 0.676047 O\n0.329294 0.751131 0.652713 O\n0.787897 0.213900 0.751650 O\n0.771098 0.220050 0.568699 O\n0.249871 0.769290 0.429176 O\n0.664668 0.248526 0.347192 O\n0.520744 0.099683 0.334042 O\n0.320697 0.929054 0.152298 O\n0.483632 0.186809 0.663240 O\n0.370118 0.111274 0.832310 O\n0.229576 0.993946 0.927238 O\n0.260516 0.998115 0.562938 O\n0.214256 0.008126 0.742014 O\n0.255086 0.070237 0.349947 O\n0.481592 0.318251 0.150457 O\n0.522017 0.369663 0.834818 O\n0.312087 0.193191 0.160704 O\n0.299283 0.343405 0.011160 O\n0.335979 0.327332 0.512812 O\n0.187276 0.327169 0.661232 O\n0.373851 0.515056 0.333571 O\n0.328135 0.483553 0.660096 O\n0.076868 0.249841 0.842193 O\n0.009586 0.204692 0.251348 O\n0.006749 0.229274 0.067753 O\n0.110753 0.364298 0.339130 O\n0.186300 0.487610 0.166115 O\n0.110073 0.519095 0.830613 O\n0.250739 0.670394 0.842071 O\n0.218614 0.779975 0.064796 O\n0.219508 0.784173 0.247956 O\n0.080010 0.680284 0.346860 O\n0.003100 0.774216 0.565322 O\n0.001160 0.784491 0.748274 O\n",
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"formula_full": "Li18 V6 P16 O58",
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"spacegroup": 1
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{
"id": "mp-754609",
"created_at": "2022-09-04T14:39:14.380825Z",
"structure_string": "V6 O3 F15\n1.0\n5.239004 0.000000 0.000000\n-0.026565 5.413817 0.000000\n-2.575897 -2.142217 11.382794\nV O F\n6 3 15\ndirect\n0.168336 0.168768 0.334373 V\n0.319053 0.311962 0.670383 V\n0.519375 0.476912 0.003330 V\n0.652213 0.643538 0.335718 V\n0.999901 0.000498 0.000194 V\n0.834904 0.834069 0.666228 V\n0.146917 0.067135 0.692079 O\n0.709761 0.233576 0.024545 O\n0.479213 0.399102 0.357800 O\n0.818705 0.914558 0.833067 F\n0.616509 0.118592 0.633469 F\n0.516770 0.603569 0.636859 F\n0.514916 0.428362 0.833197 F\n0.155635 0.263687 0.500798 F\n0.814236 0.722598 0.035931 F\n0.947652 0.450718 0.297639 F\n0.288673 0.771036 0.971813 F\n0.182666 0.285357 0.964655 F\n0.850882 0.938185 0.305797 F\n0.056015 0.556461 0.701394 F\n0.850453 0.745062 0.498968 F\n0.485698 0.592482 0.165967 F\n0.390705 0.890067 0.369123 F\n0.180809 0.083704 0.166672 F\n",
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"formula_full": "V6 O3 F15",
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{
"id": "mp-1113703",
"created_at": "2022-09-04T14:39:14.243494Z",
"structure_string": "Rb2 Li1 Sc1 F6\n1.0\n0.000000 4.233526 4.233526\n4.233526 0.000000 4.233526\n4.233526 4.233526 0.000000\nRb Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.241899 0.241899 0.758101 F\n0.241899 0.758101 0.758101 F\n0.758101 0.758101 0.241899 F\n0.241899 0.758101 0.241899 F\n0.758101 0.241899 0.758101 F\n0.758101 0.241899 0.241899 F\n",
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"elements": [
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"volume": 151.75279182139215,
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"formula_full": "Rb2 Li1 Sc1 F6",
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{
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"structure_string": "Ce1 Ge1 Au1\n1.0\n0.000000 3.354792 3.354792\n3.354792 0.000000 3.354792\n3.354792 3.354792 0.000000\nCe Ge Au\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ge\n0.750000 0.750000 0.750000 Au\n",
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{
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"structure_string": "Rb2 Li1 Au1 Cl6\n1.0\n0.000000 5.109155 5.109155\n5.109155 0.000000 5.109155\n5.109155 5.109155 0.000000\nRb Li Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.752602 0.247398 0.247398 Cl\n0.247398 0.247398 0.752602 Cl\n0.247398 0.752602 0.752602 Cl\n0.247398 0.752602 0.247398 Cl\n0.752602 0.247398 0.752602 Cl\n0.752602 0.752602 0.247398 Cl\n",
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{
"id": "mp-1176660",
"created_at": "2022-09-04T14:39:14.287006Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n-6.214201 0.000000 0.000000\n0.199388 9.696638 0.000000\n-0.091816 -4.718273 -9.017935\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.017653 0.765719 0.763567 Li\n0.489451 0.759956 0.259609 Li\n0.512163 0.231234 0.737232 Li\n0.520291 0.240558 0.241716 Li\n0.751406 0.660610 0.932596 Mn\n0.744781 0.661872 0.434485 Mn\n0.244320 0.338204 0.567853 Mn\n0.253976 0.338755 0.066948 Mn\n0.254853 0.571680 0.924257 P\n0.249440 0.570728 0.424575 P\n0.754704 0.427174 0.575671 P\n0.743582 0.429230 0.075795 P\n0.744999 0.934850 0.609573 C\n0.736311 0.933638 0.106525 C\n0.239611 0.066536 0.889886 C\n0.285177 0.067311 0.392977 C\n0.771300 0.877398 0.962737 O\n0.743163 0.878368 0.463849 O\n0.223108 0.928546 0.797757 O\n0.770221 0.819259 0.644013 O\n0.303795 0.929789 0.301991 O\n0.723050 0.816991 0.141183 O\n0.061099 0.678125 0.947227 O\n0.448505 0.669695 0.914675 O\n0.048534 0.657613 0.419438 O\n0.436401 0.687258 0.441366 O\n0.799985 0.581072 0.717874 O\n0.242675 0.536201 0.559412 O\n0.715343 0.583719 0.219412 O\n0.283253 0.537128 0.058312 O\n0.725382 0.462658 0.940696 O\n0.231558 0.415080 0.781884 O\n0.713912 0.463653 0.444140 O\n0.277715 0.415954 0.281377 O\n0.941791 0.312506 0.539307 O\n0.556866 0.338854 0.596459 O\n0.561868 0.310700 0.065813 O\n0.950004 0.345427 0.073046 O\n0.263468 0.183399 0.856200 O\n0.722637 0.072246 0.700537 O\n0.289577 0.184766 0.359457 O\n0.715570 0.071628 0.195892 O\n0.256409 0.121821 0.537388 O\n0.232460 0.122090 0.035298 O\n",
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"formula_full": "Li4 Mn4 P4 C4 O28",
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{
"id": "mp-776581",
"created_at": "2022-09-04T14:39:14.316923Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n6.306066 0.000000 0.000000\n-0.153472 8.280648 0.000000\n-3.011795 -4.064991 7.102010\nLi Mn B O\n4 6 6 18\ndirect\n0.406405 0.297125 0.280926 Li\n0.108906 0.974503 0.689334 Li\n0.587182 0.988573 0.694660 Li\n0.282870 0.720911 0.020579 Li\n0.156784 0.003178 0.330994 Mn\n0.688119 0.011945 0.370358 Mn\n0.996616 0.352868 0.005971 Mn\n0.501838 0.376660 0.997144 Mn\n0.303824 0.603939 0.622507 Mn\n0.844315 0.658651 0.699887 Mn\n0.005387 0.000757 0.987982 B\n0.489690 0.998961 0.987422 B\n0.108351 0.328197 0.675261 B\n0.571998 0.332201 0.658981 B\n0.915055 0.667221 0.350818 B\n0.402353 0.672060 0.334712 B\n0.183544 0.256941 0.799221 O\n0.647761 0.267564 0.786158 O\n0.997623 0.212339 0.487677 O\n0.484732 0.214962 0.467872 O\n0.082110 0.184816 0.121984 O\n0.529791 0.192710 0.082240 O\n0.153146 0.523074 0.753284 O\n0.584720 0.524378 0.731714 O\n0.437371 0.583527 0.441310 O\n0.987883 0.616435 0.489737 O\n0.811519 0.531754 0.161683 O\n0.323045 0.559558 0.139479 O\n0.399250 0.898957 0.790992 O\n0.892609 0.943861 0.796114 O\n0.443690 0.861938 0.413846 O\n0.950710 0.852557 0.404041 O\n0.039186 0.861257 0.035503 O\n0.531640 0.909240 0.089657 O\n",
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"formula_full": "Li4 Mn6 B6 O18",
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{
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],
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{
"id": "mp-1191567",
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"structure_string": "Na4 Ti2 H8 O10\n1.0\n3.057047 0.000000 0.000000\n-0.009415 4.222333 0.000000\n-0.949735 -0.872531 21.657085\nNa Ti H O\n4 2 8 10\ndirect\n0.525447 0.017762 0.579011 Na\n0.474553 0.982238 0.420989 Na\n0.474560 0.484592 0.921028 Na\n0.525440 0.515408 0.078972 Na\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.838139 0.496473 0.803169 H\n0.161861 0.503527 0.196831 H\n0.162173 0.964078 0.696190 H\n0.837827 0.035922 0.303810 H\n0.475948 0.188998 0.738106 H\n0.524052 0.811002 0.261894 H\n0.515359 0.694341 0.761822 H\n0.484641 0.305659 0.238178 H\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.518781 0.513465 0.559731 O\n0.481219 0.486535 0.440269 O\n0.481198 0.988456 0.940282 O\n0.518802 0.011544 0.059718 O\n0.531291 0.502515 0.787868 O\n0.468709 0.497485 0.212132 O\n0.467237 0.987418 0.711802 O\n0.532763 0.012582 0.288198 O\n",
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{
"id": "mp-1211956",
"created_at": "2022-09-04T14:39:14.254911Z",
"structure_string": "K8 Na16 Zn4 Sn8\n1.0\n10.044929 0.000000 0.000000\n0.000000 11.484170 0.000000\n0.000000 5.739801 10.185190\nK Na Zn Sn\n8 16 4 8\ndirect\n0.607898 0.703288 0.176685 K\n0.392102 0.296712 0.823315 K\n0.107898 0.796712 0.823315 K\n0.892102 0.203288 0.176685 K\n0.967136 0.816668 0.144867 K\n0.032864 0.183332 0.855133 K\n0.467136 0.683332 0.855133 K\n0.532864 0.316668 0.144867 K\n0.840338 0.576126 0.489816 Na\n0.159662 0.423874 0.510184 Na\n0.340338 0.923874 0.510184 Na\n0.659662 0.076126 0.489816 Na\n0.822489 0.572840 0.007186 Na\n0.177511 0.427160 0.992814 Na\n0.322489 0.927160 0.992814 Na\n0.677511 0.072840 0.007186 Na\n0.524580 0.622044 0.575952 Na\n0.475420 0.377956 0.424048 Na\n0.024580 0.877956 0.424048 Na\n0.975420 0.122044 0.575952 Na\n0.777803 0.761502 0.668023 Na\n0.222197 0.238498 0.331977 Na\n0.277803 0.738498 0.331977 Na\n0.722197 0.261502 0.668023 Na\n0.464678 0.987953 0.243465 Zn\n0.535322 0.012047 0.756535 Zn\n0.964678 0.512047 0.756535 Zn\n0.035322 0.487953 0.243465 Zn\n0.275619 0.576932 0.161500 Sn\n0.724381 0.423068 0.838500 Sn\n0.775619 0.923068 0.838500 Sn\n0.224381 0.076932 0.161500 Sn\n0.691682 0.885333 0.352129 Sn\n0.308318 0.114667 0.647871 Sn\n0.191682 0.614667 0.647871 Sn\n0.808318 0.385333 0.352129 Sn\n",
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"formula_full": "K8 Na16 Zn4 Sn8",
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"updated_at": "2021-11-28T01:34:37.302000Z",
"spacegroup": 14
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{
"id": "mp-1226781",
"created_at": "2022-09-04T14:39:14.567646Z",
"structure_string": "Co2 H30 N12 Cl4 O4\n1.0\n5.438010 4.528733 -0.481448\n5.438010 -4.528733 -0.481448\n0.033246 0.000000 -11.177251\nCo H N Cl O\n2 30 12 4 4\ndirect\n0.714387 0.283980 0.250364 Co\n0.283980 0.714387 0.750364 Co\n0.865825 0.239449 0.028939 H\n0.759184 0.136388 0.473990 H\n0.136388 0.759184 0.973990 H\n0.239449 0.865825 0.528939 H\n0.039482 0.418489 0.282703 H\n0.577815 0.960725 0.221649 H\n0.960725 0.577815 0.721649 H\n0.418489 0.039482 0.782703 H\n0.916581 0.555643 0.175309 H\n0.439200 0.089888 0.326265 H\n0.089888 0.439200 0.826265 H\n0.555643 0.916581 0.675309 H\n0.845568 0.577300 0.317935 H\n0.421261 0.153933 0.181361 H\n0.153933 0.421261 0.681361 H\n0.577300 0.845568 0.817936 H\n0.726124 0.452591 0.033974 H\n0.545947 0.275184 0.466158 H\n0.275184 0.545947 0.966158 H\n0.452591 0.726124 0.533974 H\n0.627262 0.258701 0.028859 H\n0.740467 0.374148 0.471060 H\n0.374148 0.740467 0.971060 H\n0.258701 0.627262 0.528859 H\n0.954298 0.990320 0.328477 H\n0.990320 0.954298 0.828477 H\n0.058105 0.102938 0.212626 H\n0.102938 0.058105 0.712626 H\n0.905776 0.962781 0.186201 H\n0.962781 0.905776 0.686201 H\n0.904938 0.478871 0.256637 N\n0.517101 0.096672 0.244901 N\n0.096672 0.517101 0.744901 N\n0.478871 0.904938 0.756637 N\n0.933492 0.059180 0.245252 N\n0.059180 0.933492 0.745252 N\n0.735734 0.310933 0.063786 N\n0.688466 0.265184 0.436786 N\n0.265184 0.688466 0.936786 N\n0.310933 0.735734 0.563786 N\n0.499228 0.501244 0.251125 N\n0.501244 0.499228 0.751125 N\n0.214879 0.206368 0.482977 Cl\n0.808919 0.803791 0.030985 Cl\n0.803791 0.808919 0.530985 Cl\n0.206368 0.214879 0.982977 Cl\n0.503874 0.635245 0.316116 O\n0.365056 0.499083 0.186566 O\n0.499083 0.365056 0.686566 O\n0.635245 0.503874 0.816116 O\n",
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"formula_full": "Co2 H30 N12 Cl4 O4",
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}
]
}