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{
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"formula_full": "Li16 Ni12 P16 O60",
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},
{
"id": "mp-753091",
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"structure_string": "Li4 V8 O12 F4\n1.0\n4.279388 6.779500 0.000000\n-4.279388 6.779500 0.000000\n0.000000 2.665622 5.395365\nLi V O F\n4 8 12 4\ndirect\n0.009172 0.249406 0.103604 Li\n0.739382 0.996418 0.391207 Li\n0.249406 0.009172 0.603604 Li\n0.996418 0.739382 0.891207 Li\n0.762747 0.224470 0.773466 V\n0.008493 0.501319 0.501750 V\n0.501319 0.008493 0.001750 V\n0.370170 0.375041 0.126195 V\n0.375041 0.370170 0.626195 V\n0.618630 0.633615 0.368238 V\n0.633615 0.618630 0.868238 V\n0.224470 0.762747 0.273466 V\n0.616505 0.139342 0.653631 O\n0.870241 0.379814 0.836931 O\n0.612296 0.144774 0.109811 O\n0.523660 0.485359 0.738564 O\n0.747923 0.716939 0.511778 O\n0.274771 0.253449 0.993769 O\n0.716939 0.747923 0.011778 O\n0.253449 0.274771 0.493769 O\n0.485359 0.523660 0.238564 O\n0.139342 0.616505 0.153631 O\n0.379814 0.870241 0.336931 O\n0.144774 0.612296 0.609811 O\n0.994536 0.000185 0.259358 F\n0.872150 0.379193 0.381700 F\n0.379193 0.872150 0.881700 F\n0.000185 0.994536 0.759358 F\n",
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"formula_full": "Li4 V8 O12 F4",
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"spacegroup": 9
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{
"id": "mp-1044733",
"created_at": "2022-09-04T14:40:38.588718Z",
"structure_string": "Ca2 Pr2 Ni4 O12\n1.0\n5.420461 0.000000 0.000000\n0.000000 5.426464 0.000000\n0.000000 0.000000 7.602368\nCa Pr Ni O\n2 2 4 12\ndirect\n0.490657 0.204873 0.000000 Ca\n0.990657 0.795127 0.500000 Ca\n0.008325 0.712053 0.000000 Pr\n0.508325 0.287947 0.500000 Pr\n0.000358 0.249435 0.750097 Ni\n0.000358 0.249435 0.249903 Ni\n0.500358 0.750565 0.250097 Ni\n0.500358 0.750565 0.749903 Ni\n0.071055 0.234838 0.500000 O\n0.217687 0.967887 0.787074 O\n0.217687 0.967887 0.212926 O\n0.286096 0.464525 0.207966 O\n0.286096 0.464525 0.792034 O\n0.421624 0.737980 0.500000 O\n0.571055 0.765162 0.000000 O\n0.717687 0.032113 0.712926 O\n0.717687 0.032113 0.287074 O\n0.786096 0.535475 0.707966 O\n0.786096 0.535475 0.292034 O\n0.921624 0.262020 0.000000 O\n",
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],
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{
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"created_at": "2022-09-04T14:40:56.988709Z",
"structure_string": "Cr1 Mo1 O4\n1.0\n0.000000 -3.130970 0.000000\n4.623256 0.000000 -0.122758\n0.022576 0.000000 4.633814\nCr Mo O\n1 1 4\ndirect\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Mo\n0.500000 0.700518 0.199483 O\n0.500000 0.299482 0.800517 O\n0.000000 0.196556 0.304723 O\n0.000000 0.803444 0.695277 O\n",
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{
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"structure_string": "Ca8 Tb4 Mn12 O36\n1.0\n5.362053 0.000000 0.000000\n0.000000 7.649143 0.000000\n0.000000 0.000000 16.355899\nCa Tb Mn O\n8 4 12 36\ndirect\n0.509062 0.750000 0.484669 Ca\n0.509071 0.750000 0.818547 Ca\n0.990929 0.750000 0.318547 Ca\n0.990938 0.750000 0.984669 Ca\n0.490929 0.250000 0.181453 Ca\n0.490938 0.250000 0.515331 Ca\n0.009062 0.250000 0.015331 Ca\n0.009071 0.250000 0.681453 Ca\n0.510444 0.750000 0.149904 Tb\n0.989556 0.750000 0.649904 Tb\n0.489556 0.250000 0.850096 Tb\n0.010444 0.250000 0.350096 Tb\n0.000791 0.001449 0.166726 Mn\n0.000000 0.000000 0.500000 Mn\n0.999209 0.998551 0.833274 Mn\n0.500000 0.500000 0.000000 Mn\n0.500791 0.501449 0.333274 Mn\n0.499209 0.498551 0.666726 Mn\n0.000791 0.498551 0.166726 Mn\n0.000000 0.500000 0.500000 Mn\n0.999209 0.501449 0.833274 Mn\n0.500000 0.000000 0.000000 Mn\n0.500791 0.998551 0.333274 Mn\n0.499209 0.001449 0.666726 Mn\n0.787887 0.951980 0.071430 O\n0.796696 0.963378 0.401289 O\n0.796706 0.954488 0.734627 O\n0.703294 0.545512 0.234627 O\n0.712113 0.548020 0.571430 O\n0.703304 0.536622 0.901289 O\n0.203294 0.454488 0.265373 O\n0.203304 0.463378 0.598711 O\n0.212113 0.451980 0.928570 O\n0.296696 0.036622 0.098711 O\n0.287887 0.048020 0.428570 O\n0.296706 0.045512 0.765373 O\n0.203294 0.045512 0.265373 O\n0.203304 0.036622 0.598711 O\n0.212113 0.048020 0.928570 O\n0.296696 0.463378 0.098711 O\n0.287887 0.451980 0.428570 O\n0.296706 0.454488 0.765373 O\n0.787887 0.548020 0.071430 O\n0.796696 0.536622 0.401289 O\n0.796706 0.545512 0.734627 O\n0.703294 0.954488 0.234627 O\n0.712113 0.951980 0.571430 O\n0.703304 0.963378 0.901289 O\n0.420838 0.750000 0.008578 O\n0.421505 0.750000 0.338703 O\n0.412236 0.750000 0.673030 O\n0.087764 0.750000 0.173030 O\n0.079162 0.750000 0.508578 O\n0.078495 0.750000 0.838703 O\n0.587764 0.250000 0.326970 O\n0.578495 0.250000 0.661297 O\n0.579162 0.250000 0.991422 O\n0.921505 0.250000 0.161297 O\n0.920838 0.250000 0.491422 O\n0.912236 0.250000 0.826970 O\n",
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"formula_full": "Ca8 Tb4 Mn12 O36",
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{
"id": "mp-560212",
"created_at": "2022-09-04T14:39:17.630205Z",
"structure_string": "Li16 Ni8 S16 O64\n1.0\n9.139622 0.000000 0.000000\n0.000000 9.258615 0.000000\n0.000000 0.000000 13.741122\nLi Ni S O\n16 8 16 64\ndirect\n0.720258 0.466495 0.626665 Li\n0.544431 0.225665 0.127793 Li\n0.455569 0.274335 0.627793 Li\n0.220258 0.533505 0.873335 Li\n0.544431 0.725665 0.372207 Li\n0.279742 0.533505 0.373335 Li\n0.455569 0.774335 0.872207 Li\n0.955569 0.725665 0.872207 Li\n0.779742 0.966495 0.373335 Li\n0.279742 0.033505 0.126665 Li\n0.779742 0.466495 0.126665 Li\n0.044431 0.774335 0.372207 Li\n0.044431 0.274335 0.127793 Li\n0.955569 0.225665 0.627793 Li\n0.720258 0.966495 0.873335 Li\n0.220258 0.033505 0.626665 Li\n0.896636 0.361911 0.377956 Ni\n0.603364 0.861911 0.622044 Ni\n0.396636 0.638089 0.122044 Ni\n0.396636 0.138089 0.377956 Ni\n0.103364 0.638089 0.622044 Ni\n0.603364 0.361911 0.877956 Ni\n0.103364 0.138089 0.877956 Ni\n0.896636 0.861911 0.122044 Ni\n0.430661 0.074933 0.773071 S\n0.812940 0.160719 0.008676 S\n0.312940 0.839281 0.491324 S\n0.430661 0.574933 0.726929 S\n0.930661 0.925067 0.726929 S\n0.312940 0.339281 0.008676 S\n0.187060 0.839281 0.991324 S\n0.687060 0.160719 0.508676 S\n0.569339 0.925067 0.226929 S\n0.187060 0.339281 0.508676 S\n0.069339 0.074933 0.273071 S\n0.069339 0.574933 0.226929 S\n0.930661 0.425067 0.773071 S\n0.569339 0.425067 0.273071 S\n0.812940 0.660719 0.491324 S\n0.687060 0.660719 0.991324 S\n0.002097 0.481950 0.152132 O\n0.997903 0.518050 0.847868 O\n0.267223 0.074083 0.777868 O\n0.011431 0.225336 0.278266 O\n0.267223 0.574083 0.722132 O\n0.988569 0.274664 0.778266 O\n0.511431 0.774664 0.221734 O\n0.271689 0.810560 0.082128 O\n0.767223 0.425917 0.777868 O\n0.299105 0.998265 0.477223 O\n0.757842 0.742631 0.406250 O\n0.232777 0.074083 0.277868 O\n0.200895 0.998265 0.977223 O\n0.771689 0.189440 0.417872 O\n0.968977 0.204243 0.994485 O\n0.232777 0.574083 0.222132 O\n0.997903 0.018050 0.652132 O\n0.031023 0.795757 0.005515 O\n0.502097 0.518050 0.347868 O\n0.497903 0.981950 0.847868 O\n0.200895 0.498265 0.522777 O\n0.497903 0.481950 0.652132 O\n0.011431 0.725336 0.221734 O\n0.463324 0.523336 0.828911 O\n0.732777 0.425917 0.277868 O\n0.531023 0.704243 0.005515 O\n0.536676 0.976664 0.328911 O\n0.700895 0.001735 0.522777 O\n0.968977 0.704243 0.505515 O\n0.757842 0.242631 0.093750 O\n0.771689 0.689440 0.082128 O\n0.002097 0.981950 0.347868 O\n0.488569 0.725336 0.721734 O\n0.463324 0.023336 0.671089 O\n0.468977 0.295757 0.994485 O\n0.742158 0.242631 0.593750 O\n0.511431 0.274664 0.278266 O\n0.271689 0.310560 0.417872 O\n0.242158 0.257369 0.593750 O\n0.799105 0.001735 0.022777 O\n0.531023 0.204243 0.494485 O\n0.228311 0.310560 0.917872 O\n0.728311 0.189440 0.917872 O\n0.036676 0.523336 0.328911 O\n0.767223 0.925917 0.722132 O\n0.468977 0.795757 0.505515 O\n0.257842 0.757369 0.406250 O\n0.031023 0.295757 0.494485 O\n0.488569 0.225336 0.778266 O\n0.242158 0.757369 0.906250 O\n0.963324 0.976664 0.828911 O\n0.502097 0.018050 0.152132 O\n0.299105 0.498265 0.022777 O\n0.742158 0.742631 0.906250 O\n0.963324 0.476664 0.671089 O\n0.228311 0.810560 0.582128 O\n0.799105 0.501735 0.477223 O\n0.700895 0.501735 0.977223 O\n0.036676 0.023336 0.171089 O\n0.536676 0.476664 0.171089 O\n0.728311 0.689440 0.582128 O\n0.732777 0.925917 0.222132 O\n0.257842 0.257369 0.093750 O\n0.988569 0.774664 0.721734 O\n",
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