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{
"id": "mp-1311067",
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"structure_string": "Li10 Ti4 Mn6 O20\n1.0\n5.237583 -0.154489 -0.050971\n1.871901 7.226231 7.490988\n-1.543520 -3.003571 7.123717\nLi Ti Mn O\n10 4 6 20\ndirect\n0.771577 0.446786 0.952018 Li\n0.271548 0.946802 0.451990 Li\n0.743781 0.647752 0.135523 Li\n0.243770 0.147787 0.635519 Li\n0.756282 0.747881 0.757545 Li\n0.256270 0.247894 0.257549 Li\n0.230696 0.552359 0.051256 Li\n0.730686 0.052373 0.551231 Li\n0.254687 0.352595 0.869492 Li\n0.754665 0.852627 0.369486 Li\n0.740220 0.358863 0.328816 Ti\n0.240208 0.858872 0.828797 Ti\n0.260070 0.641647 0.673518 Ti\n0.760054 0.141642 0.173492 Ti\n0.247376 0.750321 0.250353 Mn\n0.742881 0.945574 0.952744 Mn\n0.755225 0.555292 0.549569 Mn\n0.747365 0.250332 0.750346 Mn\n0.242826 0.445679 0.452745 Mn\n0.255227 0.055288 0.049579 Mn\n0.517965 0.533513 0.298595 O\n0.017935 0.033497 0.798596 O\n0.471669 0.664049 0.878392 O\n0.971644 0.164047 0.378393 O\n0.471663 0.842303 0.092250 O\n0.971654 0.342310 0.592258 O\n0.969681 0.247502 0.985587 O\n0.469703 0.747493 0.485594 O\n0.981114 0.443660 0.209163 O\n0.481130 0.943654 0.709155 O\n0.018622 0.556209 0.793413 O\n0.518632 0.056206 0.293429 O\n0.026273 0.752289 0.015109 O\n0.526260 0.252312 0.515101 O\n0.524690 0.157833 0.908963 O\n0.024672 0.657856 0.408958 O\n0.528385 0.335429 0.124190 O\n0.028377 0.835426 0.624205 O\n0.480564 0.466466 0.703026 O\n0.980518 0.966452 0.203017 O\n",
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{
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"structure_string": "Fe16 H20 O34\n1.0\n-6.146424 0.000000 0.000000\n0.350287 10.106579 0.000000\n-0.012116 -0.792342 -11.015660\nFe H O\n16 20 34\ndirect\n0.013772 0.686551 0.087189 Fe\n0.015303 0.847214 0.606980 Fe\n0.272114 0.182461 0.580205 Fe\n0.247979 0.274971 0.077844 Fe\n0.009073 0.310772 0.806942 Fe\n0.004511 0.135301 0.263910 Fe\n0.259835 0.831621 0.316510 Fe\n0.265753 0.669983 0.803381 Fe\n0.499601 0.687758 0.087449 Fe\n0.521831 0.832981 0.604502 Fe\n0.749791 0.192255 0.552113 Fe\n0.712093 0.135177 0.975502 Fe\n0.493653 0.316397 0.793169 Fe\n0.519818 0.142737 0.264872 Fe\n0.759117 0.834612 0.322929 Fe\n0.763177 0.671305 0.799633 Fe\n0.988902 0.610971 0.331476 H\n0.038348 0.590342 0.597834 H\n0.260995 0.475705 0.921832 H\n0.261400 0.297310 0.377693 H\n0.996998 0.397373 0.561733 H\n0.010914 0.016088 0.467555 H\n0.913904 0.361800 0.208273 H\n0.236315 0.499038 0.158198 H\n0.355592 0.922761 0.811968 H\n0.513141 0.610876 0.331902 H\n0.511169 0.549920 0.621632 H\n0.755003 0.467374 0.915913 H\n0.715663 0.081232 0.749913 H\n0.510412 0.008481 0.465131 H\n0.774830 0.906015 0.097996 H\n0.717543 0.496837 0.143174 H\n0.871665 0.931442 0.847683 H\n0.396529 0.981822 0.002015 H\n0.078446 0.015639 0.911478 H\n0.599668 0.329948 0.132360 H\n0.999111 0.688505 0.284106 O\n0.015983 0.957716 0.331652 O\n0.021874 0.648727 0.670596 O\n0.014075 0.692742 0.909524 O\n0.242048 0.193166 0.755411 O\n0.255023 0.459381 0.831676 O\n0.258317 0.109676 0.153564 O\n0.269709 0.203766 0.394553 O\n0.005763 0.318384 0.606534 O\n0.008670 0.047183 0.558629 O\n0.062490 0.338919 0.226355 O\n0.990148 0.265025 0.971147 O\n0.263082 0.805739 0.130758 O\n0.248729 0.540409 0.080312 O\n0.291759 0.859560 0.741826 O\n0.262146 0.802404 0.498088 O\n0.509599 0.688804 0.285022 O\n0.512993 0.958828 0.332772 O\n0.511367 0.635189 0.669900 O\n0.515575 0.691613 0.910475 O\n0.740898 0.177067 0.768083 O\n0.761631 0.452403 0.825623 O\n0.755516 0.104468 0.146171 O\n0.768130 0.195655 0.382341 O\n0.518809 0.316307 0.607811 O\n0.514432 0.041703 0.557514 O\n0.502676 0.282567 0.967473 O\n0.764528 0.817057 0.129640 O\n0.747923 0.556112 0.078704 O\n0.775423 0.854885 0.731485 O\n0.766929 0.798391 0.494748 O\n0.475342 0.003237 0.928044 O\n0.926374 0.987588 0.923234 O\n0.507410 0.336780 0.205327 O\n",
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"volume": 684.2853055053259,
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"formula_full": "Fe16 H20 O34",
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"spacegroup": 1
},
{
"id": "mp-1399250",
"created_at": "2022-09-04T14:46:54.938440Z",
"structure_string": "Li3 Co2 Cu3 O10\n1.0\n5.028564 0.000000 0.000000\n-1.140476 5.140439 0.000000\n-1.251144 -2.742833 6.807056\nLi Co Cu O\n3 2 3 10\ndirect\n0.215490 0.507694 0.404507 Li\n0.500000 0.000000 0.500000 Li\n0.784510 0.492306 0.595493 Li\n0.111812 0.999603 0.693649 Co\n0.888188 0.000397 0.306351 Co\n0.000000 0.500000 0.000000 Cu\n0.697212 0.979430 0.903023 Cu\n0.302788 0.020570 0.096977 Cu\n0.051807 0.206400 0.834565 O\n0.318498 0.780537 0.953038 O\n0.109343 0.785311 0.545496 O\n0.211108 0.241992 0.227227 O\n0.445291 0.199817 0.657681 O\n0.554709 0.800183 0.342319 O\n0.788892 0.758008 0.772773 O\n0.890657 0.214689 0.454504 O\n0.681502 0.219463 0.046962 O\n0.948193 0.793600 0.165435 O\n",
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"formula_full": "Li3 Co2 Cu3 O10",
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},
{
"id": "mp-752567",
"created_at": "2022-09-04T14:45:01.072260Z",
"structure_string": "Li3 Co2 Cu3 O10\n1.0\n5.026116 0.037827 0.152261\n-1.175845 5.130928 -0.125524\n-1.438349 -2.632755 6.813535\nLi Co Cu O\n3 2 3 10\ndirect\n0.215490 0.912200 0.404507 Li\n0.500000 0.500000 0.500000 Li\n0.784510 0.087800 0.595493 Li\n0.111812 0.693251 0.693649 Co\n0.888188 0.306749 0.306351 Co\n0.000000 0.500000 0.000000 Cu\n0.697212 0.882453 0.903023 Cu\n0.302788 0.117547 0.096977 Cu\n0.051807 0.040965 0.834565 O\n0.318498 0.733575 0.953038 O\n0.109343 0.330807 0.545496 O\n0.211108 0.469218 0.227227 O\n0.445291 0.857498 0.657681 O\n0.554709 0.142502 0.342319 O\n0.788892 0.530782 0.772773 O\n0.890657 0.669193 0.454504 O\n0.681502 0.266425 0.046962 O\n0.948193 0.959035 0.165435 O\n",
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"formula_full": "Li3 Co2 Cu3 O10",
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{
"id": "mp-1034602",
"created_at": "2022-09-04T14:40:30.678318Z",
"structure_string": "Na1 Mg14 Cr1 O16\n1.0\n8.549369 0.000000 0.000000\n0.000000 8.565813 0.000000\n0.000000 0.000000 4.271455\nNa Mg Cr O\n1 14 1 16\ndirect\n-0.000000 0.000000 -0.000000 Na\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.241388 0.500000 Mg\n-0.000000 0.758612 0.500000 Mg\n0.500000 0.247650 0.500000 Mg\n0.500000 0.752350 0.500000 Mg\n0.247238 0.000000 0.500000 Mg\n0.251695 0.500000 0.500000 Mg\n0.752762 0.000000 0.500000 Mg\n0.748305 0.500000 0.500000 Mg\n0.250401 0.244387 -0.000000 Mg\n0.250401 0.755613 0.000000 Mg\n0.749599 0.244387 -0.000000 Mg\n0.749599 0.755613 -0.000000 Mg\n-0.000000 0.500000 -0.000000 Cr\n0.263810 -0.000000 0.000000 O\n0.241902 0.500000 -0.000000 O\n0.736190 0.000000 -0.000000 O\n0.758098 0.500000 0.000000 O\n0.249144 0.252108 0.500000 O\n0.249144 0.747892 0.500000 O\n0.750856 0.252108 0.500000 O\n0.750856 0.747892 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.268848 0.000000 O\n-0.000000 0.731152 -0.000000 O\n0.500000 0.256464 -0.000000 O\n0.500000 0.743536 -0.000000 O\n",
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{
"id": "mp-542742",
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"structure_string": "Co4 H24 C8 O24\n1.0\n7.243966 0.000000 0.000000\n0.000000 8.762297 0.000000\n0.000000 1.174966 9.240264\nCo H C O\n4 24 8 24\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.478798 0.327833 0.608635 H\n0.978798 0.672167 0.891365 H\n0.521202 0.672167 0.391365 H\n0.021202 0.327833 0.108635 H\n0.711815 0.068330 0.226709 H\n0.211815 0.931670 0.273291 H\n0.288185 0.931670 0.773291 H\n0.788185 0.068330 0.726709 H\n0.113337 0.213695 0.487413 H\n0.613337 0.786305 0.012587 H\n0.886663 0.786305 0.512587 H\n0.386663 0.213695 0.987413 H\n0.897578 0.234744 0.450713 H\n0.397578 0.765256 0.049287 H\n0.102422 0.765256 0.549287 H\n0.602422 0.234744 0.950713 H\n0.905891 0.698889 0.264109 H\n0.405891 0.301111 0.235891 H\n0.094109 0.301111 0.735891 H\n0.594109 0.698889 0.764109 H\n0.845462 0.532893 0.222956 H\n0.345462 0.467107 0.277044 H\n0.154538 0.467107 0.777044 H\n0.654538 0.532893 0.722956 H\n0.380208 0.675286 0.436313 C\n0.880208 0.324714 0.063687 C\n0.619792 0.324714 0.563687 C\n0.119792 0.675286 0.936313 C\n0.778120 0.961346 0.276843 C\n0.278120 0.038654 0.223157 C\n0.221880 0.038654 0.723157 C\n0.721880 0.961346 0.776843 C\n0.725618 0.436860 0.580540 O\n0.225618 0.563140 0.919460 O\n0.274382 0.563140 0.419460 O\n0.774382 0.436860 0.080540 O\n0.335678 0.790860 0.499692 O\n0.835678 0.209140 0.000308 O\n0.664322 0.209140 0.500308 O\n0.164322 0.790860 0.999692 O\n0.726907 0.906379 0.403836 O\n0.226907 0.093621 0.096164 O\n0.273093 0.093621 0.596164 O\n0.773093 0.906379 0.903836 O\n0.900048 0.899257 0.205370 O\n0.400048 0.100743 0.294630 O\n0.099952 0.100743 0.794630 O\n0.599952 0.899257 0.705370 O\n0.022483 0.279682 0.428589 O\n0.522483 0.720318 0.071411 O\n0.977517 0.720318 0.571411 O\n0.477517 0.279682 0.928589 O\n0.890661 0.588919 0.302730 O\n0.390661 0.411081 0.197270 O\n0.109339 0.411081 0.697270 O\n0.609339 0.588919 0.802730 O\n",
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{
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"structure_string": "Mg30 Mn1 Al1 O32\n1.0\n8.551329 0.000000 0.000000\n0.000000 8.551329 0.000000\n0.000000 0.000000 8.555392\nMg Mn Al O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.251155 0.250199 Mg\n0.000000 0.251155 0.749801 Mg\n0.000000 0.748845 0.250199 Mg\n0.000000 0.748845 0.749801 Mg\n0.500000 0.250081 0.250578 Mg\n0.500000 0.250081 0.749422 Mg\n0.500000 0.749919 0.250578 Mg\n0.500000 0.749919 0.749422 Mg\n0.251155 0.000000 0.250199 Mg\n0.251155 0.000000 0.749801 Mg\n0.250081 0.500000 0.250578 Mg\n0.250081 0.500000 0.749422 Mg\n0.748845 0.000000 0.250199 Mg\n0.748845 0.000000 0.749801 Mg\n0.749919 0.500000 0.250578 Mg\n0.749919 0.500000 0.749422 Mg\n0.250392 0.250392 0.000000 Mg\n0.251094 0.251094 0.500000 Mg\n0.250392 0.749608 0.000000 Mg\n0.251094 0.748906 0.500000 Mg\n0.749608 0.250392 0.000000 Mg\n0.748906 0.251094 0.500000 Mg\n0.749608 0.749608 0.000000 Mg\n0.748906 0.748906 0.500000 Mg\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.235625 0.000000 0.000000 O\n0.254584 0.000000 0.500000 O\n0.247712 0.500000 0.000000 O\n0.250095 0.500000 0.500000 O\n0.764375 0.000000 0.000000 O\n0.745416 0.000000 0.500000 O\n0.752288 0.500000 0.000000 O\n0.749905 0.500000 0.500000 O\n0.249116 0.249116 0.249968 O\n0.249116 0.249116 0.750032 O\n0.249116 0.750884 0.249968 O\n0.249116 0.750884 0.750032 O\n0.750884 0.249116 0.249968 O\n0.750884 0.249116 0.750032 O\n0.750884 0.750884 0.249968 O\n0.750884 0.750884 0.750032 O\n0.000000 0.000000 0.228391 O\n0.000000 0.000000 0.771609 O\n0.000000 0.500000 0.246751 O\n0.000000 0.500000 0.753249 O\n0.500000 0.000000 0.246751 O\n0.500000 0.000000 0.753249 O\n0.500000 0.500000 0.249110 O\n0.500000 0.500000 0.750890 O\n0.000000 0.235625 0.000000 O\n0.000000 0.254584 0.500000 O\n0.000000 0.764375 0.000000 O\n0.000000 0.745416 0.500000 O\n0.500000 0.247712 0.000000 O\n0.500000 0.250095 0.500000 O\n0.500000 0.752288 0.000000 O\n0.500000 0.749905 0.500000 O\n",
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