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{
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"structure_string": "Ca3 Nd4 Nb6 Fe2 O28\n1.0\n7.361390 0.024105 0.014744\n7.402247 13.002467 -0.063113\n7.400679 8.639690 6.083345\nCa Nd Nb Fe O\n3 4 6 2 28\ndirect\n0.477276 0.254370 0.999880 Ca\n0.522724 0.745630 0.000120 Ca\n0.500000 0.500000 0.500000 Ca\n0.523597 0.252014 0.493964 Nd\n0.476403 0.747986 0.506036 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.012434 0.749692 0.999127 Nb\n0.017259 0.250156 0.499063 Nb\n0.987566 0.250308 0.000873 Nb\n0.982741 0.749844 0.500937 Nb\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.073792 0.318608 0.048478 O\n0.080760 0.001363 0.687517 O\n0.407314 0.000858 0.365708 O\n0.682318 0.995894 0.073374 O\n0.079153 0.207097 0.669080 O\n0.069727 0.798194 0.081956 O\n0.330319 0.299127 0.323879 O\n0.674258 0.301573 0.075100 O\n0.069111 0.499991 0.671818 O\n0.317682 0.004106 0.926626 O\n0.383810 0.497933 0.373312 O\n0.919240 0.998637 0.312483 O\n0.675836 0.494810 0.078258 O\n0.075265 0.683602 0.683290 O\n0.322200 0.192934 0.932991 O\n0.320626 0.805148 0.322970 O\n0.924735 0.316398 0.316710 O\n0.679374 0.194852 0.677030 O\n0.677800 0.807066 0.067009 O\n0.324164 0.505190 0.921742 O\n0.930889 0.500009 0.328182 O\n0.616190 0.502067 0.626688 O\n0.325742 0.698427 0.924900 O\n0.669681 0.700873 0.676121 O\n0.930273 0.201806 0.918044 O\n0.920847 0.792903 0.330920 O\n0.592686 0.999142 0.634292 O\n0.926208 0.681392 0.951522 O\n",
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{
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{
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"structure_string": "Mg14 V1 W1\n1.0\n6.240636 0.000000 -0.000000\n-3.120318 5.404549 -0.000000\n0.000000 -0.000000 9.979799\nMg V W\n14 1 1\ndirect\n0.168999 0.834499 0.125000 Mg\n0.168441 0.834220 0.625000 Mg\n0.665501 0.331001 0.125000 Mg\n0.665780 0.331559 0.625000 Mg\n0.665501 0.834499 0.125000 Mg\n0.665780 0.834220 0.625000 Mg\n0.326093 0.173907 0.379368 Mg\n0.326093 0.173907 0.870632 Mg\n0.326093 0.652187 0.379368 Mg\n0.326093 0.652187 0.870632 Mg\n0.847813 0.173907 0.379368 Mg\n0.847813 0.173907 0.870632 Mg\n0.833333 0.666667 0.375073 Mg\n0.833333 0.666667 0.874927 Mg\n0.166667 0.333333 0.125000 V\n0.166667 0.333333 0.625000 W\n",
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},
{
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"structure_string": "Mn8 P8 O56\n1.0\n9.509355 0.000000 0.000000\n0.000000 10.053043 0.000000\n0.000000 0.000000 11.383209\nMn P O\n8 8 56\ndirect\n0.758583 0.572054 0.261133 Mn\n0.241417 0.427946 0.738867 Mn\n0.241417 0.927946 0.761133 Mn\n0.258583 0.427946 0.238867 Mn\n0.758583 0.072054 0.238867 Mn\n0.741417 0.572054 0.761133 Mn\n0.741417 0.072054 0.738867 Mn\n0.258583 0.927946 0.261133 Mn\n0.953058 0.830094 0.343196 P\n0.046942 0.169906 0.656804 P\n0.046942 0.669906 0.843196 P\n0.453058 0.169906 0.156804 P\n0.953058 0.330094 0.156804 P\n0.546942 0.830094 0.843196 P\n0.546942 0.330094 0.656804 P\n0.453058 0.669906 0.343196 P\n0.881801 0.729988 0.262616 O\n0.118199 0.270012 0.737384 O\n0.118199 0.770012 0.762616 O\n0.381801 0.270012 0.237384 O\n0.881801 0.229988 0.237384 O\n0.618199 0.729988 0.762616 O\n0.618199 0.229988 0.737384 O\n0.381801 0.770012 0.262616 O\n0.670150 0.652165 0.009587 O\n0.329850 0.347835 0.990413 O\n0.329850 0.847835 0.509587 O\n0.170150 0.347835 0.490413 O\n0.670150 0.152165 0.490413 O\n0.829850 0.652165 0.509587 O\n0.829850 0.152165 0.990413 O\n0.170150 0.847835 0.009587 O\n0.907740 0.975295 0.319182 O\n0.092260 0.024705 0.680818 O\n0.092260 0.524705 0.819182 O\n0.407740 0.024705 0.180818 O\n0.907740 0.475295 0.180818 O\n0.592260 0.975295 0.819182 O\n0.592260 0.475295 0.680818 O\n0.407740 0.524705 0.319182 O\n0.852208 0.056010 0.056824 O\n0.147792 0.943990 0.943176 O\n0.147792 0.443990 0.556824 O\n0.352208 0.943990 0.443176 O\n0.852208 0.556010 0.443176 O\n0.647792 0.056010 0.556824 O\n0.647792 0.556010 0.943176 O\n0.352208 0.443990 0.056824 O\n0.637912 0.945918 0.269299 O\n0.362088 0.054082 0.730701 O\n0.362088 0.554082 0.769299 O\n0.137912 0.054082 0.230701 O\n0.637912 0.445918 0.230701 O\n0.862088 0.945918 0.769299 O\n0.862088 0.445918 0.730701 O\n0.137912 0.554082 0.269299 O\n0.615002 0.677540 0.334734 O\n0.384998 0.322460 0.665266 O\n0.384998 0.822460 0.834734 O\n0.115002 0.322460 0.165266 O\n0.615002 0.177540 0.165266 O\n0.884998 0.677540 0.834734 O\n0.884998 0.177540 0.665266 O\n0.115002 0.822460 0.334734 O\n0.583517 0.801697 0.978771 O\n0.416483 0.198303 0.021229 O\n0.416483 0.698303 0.478771 O\n0.083517 0.198303 0.521229 O\n0.583517 0.301697 0.521229 O\n0.916483 0.801697 0.478771 O\n0.916483 0.301697 0.021229 O\n0.083517 0.698303 0.978771 O\n",
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{
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"created_at": "2022-09-04T14:42:45.518358Z",
"structure_string": "Li4 Cr4 O8\n1.0\n2.953356 5.129190 0.009768\n-2.953364 1.718934 4.832575\n5.918675 -0.006907 0.009769\nLi Cr O\n4 4 8\ndirect\n0.499953 0.499955 0.500041 Li\n0.999902 0.500043 0.000081 Li\n0.500022 0.999951 0.499972 Li\n0.499986 0.500027 0.000083 Li\n0.500034 0.000022 0.999975 Cr\n0.000054 0.000313 0.500326 Cr\n0.000475 0.999681 0.999630 Cr\n0.999687 0.500004 0.499818 Cr\n0.243255 0.241141 0.484444 O\n0.772287 0.243258 0.484391 O\n0.243310 0.772267 0.015682 O\n0.758918 0.756693 0.984334 O\n0.241098 0.243341 0.015517 O\n0.756689 0.227698 0.984485 O\n0.227721 0.756639 0.515581 O\n0.756610 0.758966 0.515642 O\n",
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"formula_full": "Li4 Cr4 O8",
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{
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"structure_string": "Eu4 H16 S8 N4 O32\n1.0\n7.220849 0.000000 0.000000\n0.000000 8.996478 0.000000\n0.000000 0.257261 10.876215\nEu H S N O\n4 16 8 4 32\ndirect\n0.329119 0.947667 0.848088 Eu\n0.170881 0.947667 0.348088 Eu\n0.829119 0.052333 0.651912 Eu\n0.670881 0.052333 0.151912 Eu\n0.548208 0.649090 0.653095 H\n0.951792 0.649090 0.153095 H\n0.769264 0.601593 0.617967 H\n0.730736 0.601593 0.117967 H\n0.668679 0.536270 0.747995 H\n0.831321 0.536270 0.247995 H\n0.100408 0.526515 0.887824 H\n0.399592 0.526515 0.387824 H\n0.600408 0.473485 0.612176 H\n0.899592 0.473485 0.112176 H\n0.168679 0.463730 0.752005 H\n0.331321 0.463730 0.252005 H\n0.269264 0.398407 0.882033 H\n0.230736 0.398407 0.382033 H\n0.048208 0.350910 0.846905 H\n0.451792 0.350910 0.346905 H\n0.832238 0.825139 0.886807 S\n0.667762 0.825139 0.386807 S\n0.164615 0.736600 0.584829 S\n0.335385 0.736600 0.084829 S\n0.664615 0.263400 0.915171 S\n0.835385 0.263400 0.415171 S\n0.332238 0.174861 0.613193 S\n0.167762 0.174861 0.113193 S\n0.646618 0.565977 0.657107 N\n0.853382 0.565977 0.157107 N\n0.146618 0.434023 0.842893 N\n0.353382 0.434023 0.342893 N\n0.988604 0.899444 0.816491 O\n0.511396 0.899444 0.316491 O\n0.672883 0.885762 0.511559 O\n0.664814 0.871021 0.811470 O\n0.049783 0.873555 0.558071 O\n0.827117 0.885762 0.011559 O\n0.835186 0.871021 0.311470 O\n0.450217 0.873555 0.058071 O\n0.307084 0.768481 0.679828 O\n0.192916 0.768481 0.179828 O\n0.241899 0.712322 0.964524 O\n0.258101 0.712322 0.464524 O\n0.849023 0.663664 0.890862 O\n0.650977 0.663664 0.390862 O\n0.048373 0.611339 0.623456 O\n0.451627 0.611339 0.123456 O\n0.548373 0.388661 0.876544 O\n0.951627 0.388661 0.376544 O\n0.349023 0.336336 0.609138 O\n0.150977 0.336336 0.109138 O\n0.741899 0.287678 0.535476 O\n0.758101 0.287678 0.035476 O\n0.807084 0.231519 0.820172 O\n0.692916 0.231519 0.320172 O\n0.549783 0.126445 0.941929 O\n0.164814 0.128979 0.688530 O\n0.172883 0.114238 0.988441 O\n0.950217 0.126445 0.441929 O\n0.335186 0.128979 0.188530 O\n0.327117 0.114238 0.488441 O\n0.488604 0.100556 0.683509 O\n0.011396 0.100556 0.183509 O\n",
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{
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"structure_string": "Gd4 Mo6 O24\n1.0\n7.514319 0.000000 0.000000\n0.000000 7.514319 0.000000\n0.000000 0.000000 10.815304\nGd Mo O\n4 6 24\ndirect\n0.687407 0.187407 0.261811 Gd\n0.312593 0.812593 0.261811 Gd\n0.187407 0.312593 0.738189 Gd\n0.812593 0.687407 0.738189 Gd\n0.707245 0.207245 0.643038 Mo\n0.292755 0.792755 0.643038 Mo\n0.207245 0.292755 0.356962 Mo\n0.792755 0.707245 0.356962 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.695145 0.195145 0.478958 O\n0.304855 0.804855 0.478958 O\n0.195145 0.304855 0.521042 O\n0.804855 0.695145 0.521042 O\n0.126837 0.626837 0.689598 O\n0.873163 0.373163 0.689598 O\n0.626837 0.873163 0.310402 O\n0.373163 0.126837 0.310402 O\n0.275485 0.503843 0.298354 O\n0.724515 0.496157 0.298354 O\n0.003843 0.775485 0.298354 O\n0.996157 0.224515 0.298354 O\n0.503843 0.724515 0.701646 O\n0.496157 0.275485 0.701646 O\n0.224515 0.003843 0.701646 O\n0.775485 0.996157 0.701646 O\n0.310775 0.459182 0.903224 O\n0.689225 0.540818 0.903224 O\n0.959182 0.810775 0.903224 O\n0.040818 0.189225 0.903224 O\n0.459182 0.689225 0.096776 O\n0.540818 0.310775 0.096776 O\n0.189225 0.959182 0.096776 O\n0.810775 0.040818 0.096776 O\n",
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{
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"structure_string": "Mn2 Cr1 Se3\n1.0\n-1.902706 2.707648 5.646722\n1.902706 -2.707648 5.646722\n1.902706 2.707648 -5.646722\nMn Cr Se\n2 1 3\ndirect\n0.666813 0.666813 0.000000 Mn\n0.333187 0.333187 0.000000 Mn\n0.000000 0.000000 0.000000 Cr\n0.837576 0.337576 0.500000 Se\n0.500000 0.000000 0.500000 Se\n0.162424 0.662424 0.500000 Se\n",
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