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{
"id": "mp-7571",
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"structure_string": "K2 Nb2 F12\n1.0\n5.379313 0.000000 0.000000\n0.000000 5.379313 0.000000\n0.000000 0.000000 10.089180\nK Nb F\n2 2 12\ndirect\n0.500000 0.500000 0.250000 K\n0.500000 0.500000 0.750000 K\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.181279 0.818721 0.365174 F\n0.818721 0.181279 0.365174 F\n0.818721 0.818721 0.134826 F\n0.181279 0.181279 0.134826 F\n0.255217 0.744783 0.000000 F\n0.744783 0.744783 0.500000 F\n0.255217 0.255217 0.500000 F\n0.744783 0.255217 0.000000 F\n0.181279 0.181279 0.865174 F\n0.181279 0.818721 0.634826 F\n0.818721 0.181279 0.634826 F\n0.818721 0.818721 0.865174 F\n",
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{
"id": "mp-757099",
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"structure_string": "Li4 Mn1 Ni3 P4 O16\n1.0\n4.735025 0.003526 0.000000\n0.007779 10.191855 0.000000\n0.000000 0.000000 5.972567\nLi Mn Ni P O\n4 1 3 4 16\ndirect\n0.000436 0.998340 0.999963 Li\n0.000436 0.998340 0.500037 Li\n0.498899 0.502201 0.500486 Li\n0.498899 0.502201 0.999514 Li\n0.975213 0.278918 0.250000 Mn\n0.019547 0.725821 0.750000 Ni\n0.481092 0.221847 0.750000 Ni\n0.520808 0.776642 0.250000 Ni\n0.087608 0.598459 0.250000 P\n0.417543 0.089369 0.250000 P\n0.584212 0.905192 0.750000 P\n0.911318 0.406994 0.750000 P\n0.208654 0.457175 0.250000 O\n0.225984 0.668407 0.042811 O\n0.225984 0.668407 0.457189 O\n0.234743 0.398239 0.750000 O\n0.260585 0.899407 0.750000 O\n0.281509 0.160827 0.043254 O\n0.281509 0.160827 0.456746 O\n0.294760 0.948010 0.250000 O\n0.701576 0.047419 0.750000 O\n0.725401 0.834478 0.544046 O\n0.725401 0.834478 0.955954 O\n0.740416 0.092967 0.250000 O\n0.763515 0.601273 0.250000 O\n0.766953 0.336738 0.546471 O\n0.766953 0.336738 0.953529 O\n0.800043 0.550287 0.750000 O\n",
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"formula_full": "Li4 Mn1 Ni3 P4 O16",
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},
{
"id": "mp-757098",
"created_at": "2022-09-04T14:42:09.887921Z",
"structure_string": "Li4 Fe4 S6\n1.0\n6.259312 0.000000 0.000000\n0.000000 6.134486 0.000000\n0.000000 3.130777 6.655277\nLi Fe S\n4 4 6\ndirect\n0.615719 0.414214 0.361676 Li\n0.115719 0.085786 0.638324 Li\n0.884281 0.914214 0.361676 Li\n0.384281 0.585786 0.638324 Li\n0.358921 0.123057 0.021702 Fe\n0.141079 0.623057 0.021702 Fe\n0.858921 0.376943 0.978298 Fe\n0.641079 0.876943 0.978298 Fe\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n0.981039 0.332817 0.301515 S\n0.481039 0.167183 0.698485 S\n0.518961 0.832817 0.301515 S\n0.018961 0.667183 0.698485 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 2.882073811555765,
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"volume": 255.54707565514886,
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"formula_full": "Li4 Fe4 S6",
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},
{
"id": "mp-757097",
"created_at": "2022-09-04T14:46:23.098692Z",
"structure_string": "Li8 Fe8 P8 O32\n1.0\n5.135999 0.000000 0.000000\n0.000000 10.223016 0.000000\n0.000000 0.000000 13.671668\nLi Fe P O\n8 8 8 32\ndirect\n0.054352 0.033141 0.247598 Li\n0.550080 0.214411 0.997935 Li\n0.550080 0.285589 0.497935 Li\n0.054352 0.466859 0.747598 Li\n0.945648 0.533141 0.247598 Li\n0.449920 0.714411 0.997935 Li\n0.449920 0.785589 0.497935 Li\n0.945648 0.966859 0.747598 Li\n0.933481 0.031003 0.498973 Fe\n0.548051 0.219677 0.250038 Fe\n0.548051 0.280323 0.750038 Fe\n0.933481 0.468997 0.998973 Fe\n0.066519 0.531003 0.498973 Fe\n0.451949 0.719677 0.250038 Fe\n0.451949 0.780323 0.750038 Fe\n0.066519 0.968997 0.998973 Fe\n0.442267 0.031425 0.623857 P\n0.051080 0.217592 0.872262 P\n0.051080 0.282408 0.372262 P\n0.442267 0.468575 0.123857 P\n0.557733 0.531425 0.623857 P\n0.948920 0.717592 0.872262 P\n0.948920 0.782408 0.372262 P\n0.557733 0.968575 0.123857 P\n0.856522 0.994831 0.123777 O\n0.559880 0.969431 0.530022 O\n0.436270 0.030580 0.217121 O\n0.002791 0.067485 0.871344 O\n0.501791 0.180512 0.623223 O\n0.915754 0.225731 0.464661 O\n0.939575 0.280733 0.777692 O\n0.347602 0.249118 0.875896 O\n0.347602 0.250882 0.375896 O\n0.939575 0.219267 0.277692 O\n0.915754 0.274269 0.964661 O\n0.501791 0.319488 0.123223 O\n0.002791 0.432515 0.371344 O\n0.436270 0.469420 0.717121 O\n0.559880 0.530569 0.030022 O\n0.856522 0.505169 0.623777 O\n0.143478 0.494831 0.123777 O\n0.440120 0.469431 0.530022 O\n0.563730 0.530580 0.217121 O\n0.997209 0.567485 0.871344 O\n0.498209 0.680512 0.623223 O\n0.084246 0.725731 0.464661 O\n0.060425 0.780733 0.777692 O\n0.652398 0.749118 0.875896 O\n0.652398 0.750882 0.375896 O\n0.060425 0.719267 0.277692 O\n0.084246 0.774269 0.964661 O\n0.498209 0.819488 0.123223 O\n0.997209 0.932515 0.371344 O\n0.563730 0.969420 0.717121 O\n0.440120 0.030569 0.030022 O\n0.143478 0.005169 0.623777 O\n",
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"formula_full": "Li8 Fe8 P8 O32",
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},
{
"id": "mp-757096",
"created_at": "2022-09-04T14:43:11.800526Z",
"structure_string": "Li12 Cr12 P12 O48\n1.0\n6.599565 0.000000 0.000000\n0.000000 9.482679 0.000000\n0.000000 9.314412 16.433287\nLi Cr P O\n12 12 12 48\ndirect\n0.028695 0.328805 0.918513 Li\n0.982014 0.666007 0.580844 Li\n0.846473 0.999246 0.249461 Li\n0.346473 0.000754 0.250539 Li\n0.482014 0.333993 0.919156 Li\n0.528695 0.671195 0.581487 Li\n0.471305 0.328805 0.418513 Li\n0.517986 0.666007 0.080844 Li\n0.653527 0.999246 0.749461 Li\n0.153527 0.000754 0.750539 Li\n0.017986 0.333993 0.419156 Li\n0.971305 0.671195 0.081487 Li\n0.742771 0.605438 0.391315 Cr\n0.755778 0.282756 0.805514 Cr\n0.755636 0.109855 0.054033 Cr\n0.255636 0.890145 0.445967 Cr\n0.255778 0.717244 0.694486 Cr\n0.242771 0.394562 0.108685 Cr\n0.757229 0.605438 0.891315 Cr\n0.744222 0.282756 0.305514 Cr\n0.744364 0.109855 0.554033 Cr\n0.244364 0.890145 0.945967 Cr\n0.244222 0.717244 0.194486 Cr\n0.257229 0.394562 0.608685 Cr\n0.246702 0.636302 0.406973 P\n0.257399 0.312249 0.775998 P\n0.251139 0.049260 0.069267 P\n0.751139 0.950740 0.430733 P\n0.757399 0.687751 0.724002 P\n0.746702 0.363698 0.093027 P\n0.253298 0.636302 0.906973 P\n0.242601 0.312249 0.275998 P\n0.248861 0.049260 0.569267 P\n0.748861 0.950740 0.930733 P\n0.742601 0.687751 0.224002 P\n0.753298 0.363698 0.593027 P\n0.567721 0.439724 0.612198 O\n0.945144 0.432399 0.612829 O\n0.763415 0.087963 0.953043 O\n0.067653 0.269986 0.831500 O\n0.445408 0.273427 0.832018 O\n0.741050 0.788498 0.269375 O\n0.248645 0.597049 0.497474 O\n0.252867 0.960284 0.164379 O\n0.443829 0.154524 0.033278 O\n0.256872 0.492597 0.707418 O\n0.251888 0.825555 0.355367 O\n0.066845 0.165826 0.035237 O\n0.566845 0.834174 0.464763 O\n0.751888 0.174445 0.144633 O\n0.756872 0.507403 0.792582 O\n0.943829 0.845476 0.466722 O\n0.752867 0.039716 0.335621 O\n0.748645 0.402951 0.002526 O\n0.945408 0.726573 0.667982 O\n0.241050 0.211502 0.230625 O\n0.567653 0.730014 0.668500 O\n0.263415 0.912037 0.546957 O\n0.445144 0.567601 0.887171 O\n0.067721 0.560276 0.887802 O\n0.932279 0.439724 0.112198 O\n0.554856 0.432399 0.112829 O\n0.736585 0.087963 0.453043 O\n0.432347 0.269986 0.331500 O\n0.758950 0.788498 0.769375 O\n0.054592 0.273427 0.332018 O\n0.251355 0.597049 0.997474 O\n0.247133 0.960284 0.664379 O\n0.056171 0.154524 0.533278 O\n0.243128 0.492597 0.207418 O\n0.248112 0.825555 0.855367 O\n0.433155 0.165826 0.535237 O\n0.933155 0.834174 0.964763 O\n0.748112 0.174445 0.644633 O\n0.743128 0.507403 0.292582 O\n0.556171 0.845476 0.966722 O\n0.747133 0.039716 0.835621 O\n0.751355 0.402951 0.502526 O\n0.258950 0.211502 0.730625 O\n0.554592 0.726573 0.167982 O\n0.932347 0.730014 0.168500 O\n0.236585 0.912037 0.046957 O\n0.054856 0.567601 0.387171 O\n0.432279 0.560276 0.387802 O\n",
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"formula_full": "Li12 Cr12 P12 O48",
"formula_reduced": "LiCrPO4",
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},
{
"id": "mp-757095",
"created_at": "2022-09-04T14:40:11.035409Z",
"structure_string": "Li2 Fe1 P2 O8\n1.0\n4.928798 -0.000155 -0.001036\n-2.464535 4.266110 0.001895\n-0.001925 0.001975 7.326331\nLi Fe P O\n2 1 2 8\ndirect\n0.333318 0.666815 0.697401 Li\n0.666661 0.332921 0.302695 Li\n0.000023 0.000058 0.999930 Fe\n0.333542 0.666291 0.228182 P\n0.666428 0.333727 0.772063 P\n0.045743 0.690257 0.163107 O\n0.332702 0.665833 0.437866 O\n0.309669 0.355422 0.163075 O\n0.644719 0.954144 0.163224 O\n0.355337 0.045873 0.836791 O\n0.690320 0.644527 0.837015 O\n0.667040 0.334430 0.561839 O\n0.954199 0.309702 0.836812 O\n",
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"formula_full": "Li2 Fe1 P2 O8",
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{
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"structure_string": "La4 Hf2 O10\n1.0\n2.114135 -6.009399 0.000000\n2.114135 6.009399 0.000000\n0.000000 0.000000 11.195270\nLa Hf O\n4 2 10\ndirect\n0.861590 0.138410 0.571465 La\n0.861590 0.138410 0.928535 La\n0.138410 0.861590 0.071465 La\n0.138410 0.861590 0.428535 La\n0.829580 0.170420 0.250000 Hf\n0.170420 0.829580 0.750000 Hf\n0.949092 0.050908 0.120442 O\n0.717190 0.282810 0.402802 O\n0.949092 0.050908 0.379558 O\n0.717190 0.282810 0.097198 O\n0.716991 0.283009 0.750000 O\n0.283009 0.716991 0.250000 O\n0.050908 0.949092 0.620442 O\n0.050908 0.949092 0.879558 O\n0.282810 0.717190 0.597198 O\n0.282810 0.717190 0.902802 O\n",
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{
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"structure_string": "Nd1 Al11 O18\n1.0\n5.608419 -0.082208 -0.006644\n-2.880587 1.903846 11.150978\n2.866166 -5.009158 -0.083442\nNd Al O\n1 11 18\ndirect\n0.500019 0.499994 0.999983 Nd\n0.086365 0.782176 0.093474 Al\n0.000000 0.999997 0.000004 Al\n0.084915 0.774988 0.586708 Al\n0.586471 0.792689 0.096775 Al\n0.350820 0.056608 0.353950 Al\n0.462598 0.373160 0.457901 Al\n0.537395 0.626843 0.542097 Al\n0.649179 0.943388 0.646050 Al\n0.413527 0.207309 0.903225 Al\n0.915083 0.225011 0.413293 Al\n0.913634 0.217822 0.906528 Al\n0.292590 0.891921 0.290843 O\n0.109818 0.294385 0.100587 O\n0.275219 0.892028 0.807667 O\n0.197340 0.103364 0.185940 O\n0.110549 0.287000 0.604080 O\n0.409796 0.707975 0.379558 O\n0.677607 0.503534 0.555081 O\n0.192522 0.097416 0.726017 O\n0.387892 0.694957 0.908891 O\n0.612106 0.305043 0.091109 O\n0.807479 0.902586 0.273987 O\n0.322388 0.496459 0.444897 O\n0.590202 0.292027 0.620449 O\n0.889453 0.713004 0.395924 O\n0.802659 0.896637 0.814062 O\n0.724781 0.107974 0.192336 O\n0.707409 0.108081 0.709157 O\n0.890182 0.705615 0.899417 O\n",
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