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{
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{
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{
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"structure_string": "Nd4 Fe1 Sn8\n1.0\n4.504880 0.000000 0.000000\n0.000000 4.570852 0.000000\n0.000000 0.000000 16.959852\nNd Fe Sn\n4 1 8\ndirect\n0.000000 0.000000 0.098030 Nd\n0.000000 0.500000 0.602078 Nd\n0.500000 0.500000 0.395681 Nd\n0.500000 0.000000 0.899805 Nd\n0.000000 0.000000 0.305900 Fe\n0.000000 0.000000 0.453812 Sn\n0.000000 0.500000 0.938176 Sn\n0.500000 0.500000 0.060138 Sn\n0.500000 0.000000 0.570094 Sn\n0.000000 0.500000 0.239422 Sn\n0.000000 0.000000 0.749032 Sn\n0.500000 0.000000 0.238583 Sn\n0.500000 0.500000 0.752251 Sn\n",
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{
"id": "mp-759580",
"created_at": "2022-09-04T14:42:19.957171Z",
"structure_string": "Li4 Co3 O3 F4\n1.0\n-1.476240 1.476240 14.992475\n1.476240 -1.476240 14.992475\n1.476240 1.476240 -14.992475\nLi Co O F\n4 3 3 4\ndirect\n0.147675 0.147675 0.000000 Li\n0.716595 0.716595 0.000000 Li\n0.283405 0.283405 0.000000 Li\n0.852325 0.852325 0.000000 Li\n0.426052 0.426052 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.573948 0.573948 0.000000 Co\n0.924505 0.924505 0.000000 O\n0.500000 0.500000 0.000000 O\n0.075495 0.075495 0.000000 O\n0.649273 0.649273 0.000000 F\n0.216225 0.216225 0.000000 F\n0.783775 0.783775 0.000000 F\n0.350727 0.350727 0.000000 F\n",
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"formula_full": "Li4 Co3 O3 F4",
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{
"id": "mp-761147",
"created_at": "2022-09-04T14:42:21.134000Z",
"structure_string": "Li6 Mn4 F18\n1.0\n5.483736 0.000000 0.000000\n-2.710231 -4.968413 0.000000\n-0.956615 0.284247 -14.114979\nLi Mn F\n6 4 18\ndirect\n0.098119 0.583419 0.242902 Li\n0.002808 0.717492 0.451345 Li\n0.228544 0.710123 0.044545 Li\n0.997203 0.414836 0.751343 Li\n0.991568 0.282637 0.547453 Li\n0.776857 0.292273 0.956100 Li\n0.119341 0.971192 0.849341 Mn\n0.342388 0.978056 0.653192 Mn\n0.652991 0.034543 0.346148 Mn\n0.869008 0.015051 0.151117 Mn\n0.890112 0.755315 0.749172 F\n0.240980 0.801283 0.353676 F\n0.614317 0.841525 0.050062 F\n0.016562 0.328325 0.075688 F\n0.336732 0.224444 0.749492 F\n0.808470 0.329096 0.434430 F\n0.628907 0.247136 0.249762 F\n0.922775 0.189831 0.858580 F\n0.250081 0.153098 0.557834 F\n0.743528 0.844591 0.436750 F\n0.080353 0.808860 0.143255 F\n0.355770 0.769293 0.755610 F\n0.608655 0.773124 0.240739 F\n0.999781 0.672350 0.931623 F\n0.195723 0.675893 0.569454 F\n0.759746 0.197378 0.647629 F\n0.392833 0.169904 0.943515 F\n0.075970 0.219131 0.259242 F\n",
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{
"id": "mp-757028",
"created_at": "2022-09-04T14:42:20.956047Z",
"structure_string": "Li4 Mn4 P4 O20\n1.0\n7.593379 -0.005264 -0.001749\n-0.004268 6.119540 -0.000186\n-0.001771 -0.000238 7.830137\nLi Mn P O\n4 4 4 20\ndirect\n0.140281 0.250047 0.669957 Li\n0.359975 0.749910 0.169923 Li\n0.639981 0.250071 0.830028 Li\n0.859621 0.749930 0.330137 Li\n0.999988 0.999894 0.999864 Mn\n0.999953 0.500086 0.999979 Mn\n0.499981 0.000166 0.499952 Mn\n0.499826 0.500089 0.500047 Mn\n0.132245 0.750107 0.665822 P\n0.367622 0.249823 0.165770 P\n0.632358 0.750173 0.834260 P\n0.867735 0.249843 0.334096 P\n0.010779 0.249962 0.466706 O\n0.108820 0.750151 0.089674 O\n0.126402 0.959258 0.779939 O\n0.126492 0.540943 0.779711 O\n0.179619 0.249383 0.076056 O\n0.320168 0.750538 0.576330 O\n0.373542 0.040733 0.279837 O\n0.373408 0.458994 0.279602 O\n0.391401 0.249867 0.589722 O\n0.489645 0.750020 0.966793 O\n0.510414 0.249956 0.033184 O\n0.608564 0.750161 0.410309 O\n0.626637 0.540987 0.720417 O\n0.626515 0.959254 0.720180 O\n0.679859 0.249472 0.423707 O\n0.820413 0.750586 0.923930 O\n0.873669 0.040712 0.220037 O\n0.873559 0.459043 0.220303 O\n0.891216 0.249822 0.910363 O\n0.989310 0.750020 0.533367 O\n",
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"formula_full": "Li4 Mn4 P4 O20",
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{
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"structure_string": "Mg4 Ti4 Si16 O40\n1.0\n7.337546 0.000000 0.000000\n0.000000 7.337546 0.000000\n0.000000 0.000000 15.020545\nMg Ti Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.570295 Ti\n0.000000 0.500000 0.929705 Ti\n0.000000 0.500000 0.429705 Ti\n0.500000 0.000000 0.070295 Ti\n0.159319 0.240338 0.645957 Si\n0.840681 0.759662 0.645957 Si\n0.240338 0.159319 0.854043 Si\n0.740338 0.340681 0.645957 Si\n0.259662 0.659319 0.645957 Si\n0.340681 0.740338 0.854043 Si\n0.659319 0.259662 0.854043 Si\n0.759662 0.840681 0.854043 Si\n0.340681 0.259662 0.354043 Si\n0.659319 0.740338 0.354043 Si\n0.259662 0.340681 0.145957 Si\n0.759662 0.159319 0.354043 Si\n0.240338 0.840681 0.354043 Si\n0.159319 0.759662 0.145957 Si\n0.840681 0.240338 0.145957 Si\n0.740338 0.659319 0.145957 Si\n0.229599 0.088209 0.575344 O\n0.770401 0.911791 0.575344 O\n0.088209 0.229599 0.924656 O\n0.588209 0.270401 0.575344 O\n0.411791 0.729599 0.575344 O\n0.270401 0.588209 0.924656 O\n0.729599 0.411791 0.924656 O\n0.911791 0.770401 0.924656 O\n0.270401 0.411791 0.424656 O\n0.729599 0.588209 0.424656 O\n0.411791 0.270401 0.075344 O\n0.911791 0.229599 0.424656 O\n0.088209 0.770401 0.424656 O\n0.229599 0.911791 0.075344 O\n0.770401 0.088209 0.075344 O\n0.250204 0.060497 0.373642 O\n0.588209 0.729599 0.075344 O\n0.750204 0.560497 0.626358 O\n0.439503 0.249796 0.873642 O\n0.939503 0.250204 0.626358 O\n0.060497 0.749796 0.626358 O\n0.250204 0.939503 0.873642 O\n0.749796 0.060497 0.873642 O\n0.560497 0.750204 0.873642 O\n0.690454 0.690454 0.250000 O\n0.809546 0.190454 0.250000 O\n0.190454 0.809546 0.250000 O\n0.309546 0.309546 0.250000 O\n0.809546 0.809546 0.750000 O\n0.690454 0.309546 0.750000 O\n0.309546 0.690454 0.750000 O\n0.190454 0.190454 0.750000 O\n0.939503 0.749796 0.126358 O\n0.750204 0.439503 0.126358 O\n0.249796 0.560497 0.126358 O\n0.439503 0.750204 0.373642 O\n0.560497 0.249796 0.373642 O\n0.060497 0.250204 0.126358 O\n0.749796 0.939503 0.373642 O\n0.249796 0.439503 0.626358 O\n",
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{
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"structure_string": "Cr4 N4 F16\n1.0\n7.632692 0.000000 0.000000\n0.000000 7.632692 0.000000\n0.000000 0.000000 6.282226\nCr N F\n4 4 16\ndirect\n0.250000 0.750000 0.000000 Cr\n0.250000 0.250000 0.000000 Cr\n0.750000 0.750000 0.000000 Cr\n0.750000 0.250000 0.000000 Cr\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.500000 0.000000 0.534487 N\n0.000000 0.500000 0.465513 N\n0.500000 0.748923 0.959319 F\n0.500000 0.251077 0.959319 F\n0.248923 0.000000 0.959319 F\n0.751077 0.000000 0.959319 F\n0.000000 0.751077 0.040681 F\n0.000000 0.248923 0.040681 F\n0.251077 0.500000 0.040681 F\n0.748923 0.500000 0.040681 F\n0.222837 0.722837 0.722847 F\n0.222837 0.277163 0.722847 F\n0.777163 0.722837 0.722847 F\n0.777163 0.277163 0.722847 F\n0.277163 0.777163 0.277153 F\n0.277163 0.222837 0.277153 F\n0.722837 0.777163 0.277153 F\n0.722837 0.222837 0.277153 F\n",
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{
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{
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{
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"structure_string": "Fe8 P18 O64\n1.0\n14.164004 0.000000 0.000000\n0.000000 14.164004 0.000000\n0.000000 0.000000 6.399793\nFe P O\n8 18 64\ndirect\n0.301312 0.619095 0.874906 Fe\n0.880905 0.198688 0.374906 Fe\n0.119095 0.801312 0.374906 Fe\n0.698688 0.380905 0.874906 Fe\n0.380905 0.301312 0.125094 Fe\n0.619095 0.698688 0.125094 Fe\n0.198688 0.119095 0.625094 Fe\n0.801312 0.880905 0.625094 Fe\n0.892455 0.246746 0.864708 P\n0.940392 0.700266 0.616523 P\n0.700266 0.059608 0.383477 P\n0.246746 0.107545 0.135292 P\n0.200266 0.440392 0.116523 P\n0.799734 0.559608 0.116523 P\n0.500000 0.500000 0.000000 P\n0.440392 0.799734 0.883477 P\n0.392455 0.253254 0.635292 P\n0.299734 0.940392 0.383477 P\n0.559608 0.200266 0.883477 P\n0.753254 0.892455 0.135292 P\n0.746746 0.392455 0.364708 P\n0.607545 0.746746 0.635292 P\n0.107545 0.753254 0.864708 P\n0.000000 0.000000 0.500000 P\n0.059608 0.299734 0.616523 P\n0.253254 0.607545 0.364708 P\n0.662810 0.833670 0.125968 O\n0.060976 0.933945 0.360874 O\n0.759165 0.507199 0.927648 O\n0.500736 0.221025 0.672677 O\n0.000736 0.278975 0.827323 O\n0.333670 0.162810 0.625968 O\n0.817913 0.865603 0.318384 O\n0.278975 0.999264 0.172677 O\n0.337190 0.166330 0.125968 O\n0.182087 0.134397 0.318384 O\n0.365603 0.317913 0.818384 O\n0.837190 0.333670 0.374032 O\n0.106143 0.808122 0.068549 O\n0.843430 0.744852 0.649893 O\n0.134397 0.817913 0.681616 O\n0.606143 0.691878 0.431451 O\n0.166330 0.662810 0.874032 O\n0.156570 0.255148 0.649893 O\n0.571340 0.093087 0.906087 O\n0.928660 0.593087 0.593913 O\n0.071340 0.406913 0.593913 O\n0.906913 0.571340 0.093913 O\n0.740835 0.007199 0.572352 O\n0.778975 0.500736 0.327323 O\n0.259165 0.992801 0.572352 O\n0.240835 0.492801 0.927648 O\n0.939024 0.066055 0.360874 O\n0.093087 0.428660 0.093913 O\n0.933945 0.939024 0.639126 O\n0.666330 0.837190 0.625968 O\n0.560976 0.566055 0.139126 O\n0.865603 0.182087 0.681616 O\n0.406913 0.928660 0.406087 O\n0.308122 0.606143 0.568549 O\n0.343430 0.755148 0.850107 O\n0.244852 0.343430 0.149893 O\n0.893857 0.191878 0.068549 O\n0.634397 0.682087 0.818384 O\n0.999264 0.721025 0.827323 O\n0.191878 0.106143 0.931451 O\n0.007199 0.259165 0.427648 O\n0.808122 0.893857 0.931451 O\n0.593087 0.071340 0.406087 O\n0.691878 0.393857 0.568549 O\n0.507199 0.240835 0.072352 O\n0.428660 0.906913 0.906087 O\n0.833670 0.337190 0.874032 O\n0.755148 0.656570 0.149893 O\n0.682087 0.365603 0.181616 O\n0.393857 0.308122 0.431451 O\n0.656570 0.244852 0.850107 O\n0.162810 0.666330 0.374032 O\n0.721025 0.000736 0.172677 O\n0.439024 0.433945 0.139126 O\n0.317913 0.634397 0.181616 O\n0.492801 0.759165 0.072352 O\n0.433945 0.560976 0.860874 O\n0.066055 0.060976 0.639126 O\n0.566055 0.439024 0.860874 O\n0.221025 0.499264 0.327323 O\n0.255148 0.843430 0.350107 O\n0.744852 0.156570 0.350107 O\n0.499264 0.778975 0.672677 O\n0.992801 0.740835 0.427648 O\n",
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{
"id": "mp-1233123",
"created_at": "2022-09-04T14:42:22.194531Z",
"structure_string": "Mg1 Fe4 Si2 Sn7 O16\n1.0\n7.037497 0.012454 -0.009275\n-3.507546 6.093497 0.006489\n-0.012510 0.002434 10.028446\nMg Fe Si Sn O\n1 4 2 7 16\ndirect\n0.000002 0.500054 0.000002 Mg\n0.500039 0.999984 0.500045 Fe\n0.000005 0.000035 0.000007 Fe\n0.000031 0.499952 0.500010 Fe\n0.499986 0.499933 0.499974 Fe\n0.338324 0.668434 0.253641 Si\n0.661680 0.331585 0.746351 Si\n0.180928 0.318912 0.808771 Sn\n0.999972 0.999954 0.499986 Sn\n0.179936 0.861927 0.808202 Sn\n0.661899 0.831345 0.824019 Sn\n0.338100 0.168658 0.175991 Sn\n0.820063 0.138106 0.191789 Sn\n0.819053 0.681098 0.191221 Sn\n0.469781 0.927604 0.209987 O\n0.468360 0.540516 0.207083 O\n0.314016 0.657384 0.860497 O\n0.530221 0.072411 0.790018 O\n0.095968 0.548995 0.187013 O\n0.842251 0.157252 0.400143 O\n0.904048 0.451053 0.812994 O\n0.159755 0.313713 0.600381 O\n0.531626 0.459505 0.792889 O\n0.675284 0.340355 0.581487 O\n0.840204 0.686236 0.399614 O\n0.685980 0.342637 0.139504 O\n0.307384 0.150571 0.391270 O\n0.324752 0.659623 0.418520 O\n0.157748 0.842717 0.599854 O\n0.692604 0.849454 0.608738 O\n",
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}