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{
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{
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"structure_string": "Ca4 Al4 Si12 Sn2 O44\n1.0\n8.040934 0.000000 0.000000\n0.000000 7.423035 0.000000\n0.000000 3.768979 16.392878\nCa Al Si Sn O\n4 4 12 2 44\ndirect\n0.183182 0.997279 0.817417 Ca\n0.683182 0.002721 0.682583 Ca\n0.816818 0.002721 0.182583 Ca\n0.316818 0.997279 0.317417 Ca\n0.493174 0.311548 0.785809 Al\n0.993174 0.688452 0.714191 Al\n0.506826 0.688452 0.214191 Al\n0.006826 0.311548 0.285809 Al\n0.336294 0.283023 0.960637 Si\n0.836294 0.716977 0.539363 Si\n0.663706 0.716977 0.039363 Si\n0.163706 0.283023 0.460637 Si\n0.353682 0.683472 0.663312 Si\n0.853682 0.316528 0.836688 Si\n0.646318 0.316528 0.336688 Si\n0.146318 0.683472 0.163312 Si\n0.290591 0.668021 0.996390 Si\n0.790591 0.331979 0.503610 Si\n0.709409 0.331979 0.003610 Si\n0.209409 0.668021 0.496390 Si\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.299640 0.153478 0.515967 O\n0.799640 0.846522 0.984033 O\n0.700360 0.846522 0.484033 O\n0.200360 0.153478 0.015967 O\n0.517263 0.258176 0.007772 O\n0.017263 0.741824 0.492228 O\n0.482737 0.741824 0.992228 O\n0.982737 0.258176 0.507772 O\n0.200823 0.760516 0.712281 O\n0.700823 0.239484 0.787719 O\n0.799177 0.239484 0.287719 O\n0.299177 0.760516 0.212281 O\n0.479253 0.851527 0.621545 O\n0.979253 0.148473 0.878455 O\n0.520747 0.148473 0.378455 O\n0.020747 0.851527 0.121545 O\n0.362306 0.237469 0.869737 O\n0.862306 0.762531 0.630263 O\n0.637694 0.762531 0.130263 O\n0.137694 0.237469 0.369737 O\n0.166291 0.832103 0.950141 O\n0.666291 0.167897 0.549859 O\n0.833709 0.167897 0.049859 O\n0.333709 0.832103 0.450141 O\n0.456187 0.524307 0.724885 O\n0.956187 0.475693 0.775115 O\n0.543813 0.475693 0.275115 O\n0.043813 0.524307 0.224885 O\n0.465945 0.959102 0.781825 O\n0.965945 0.040898 0.718175 O\n0.534055 0.040898 0.218175 O\n0.034055 0.959102 0.281825 O\n0.419285 0.124807 0.730024 O\n0.919285 0.875193 0.769976 O\n0.580715 0.875193 0.269976 O\n0.080715 0.124807 0.230024 O\n0.280818 0.501460 0.947655 O\n0.780818 0.498540 0.552345 O\n0.719182 0.498540 0.052345 O\n0.219182 0.501460 0.447655 O\n0.262715 0.595464 0.592361 O\n0.762716 0.404536 0.907639 O\n0.737285 0.404536 0.407639 O\n0.237285 0.595464 0.092361 O\n",
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"formula_full": "Ca4 Al4 Si12 Sn2 O44",
"formula_reduced": "Ca2Al2Si6SnO22",
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{
"id": "mp-1102898",
"created_at": "2022-09-04T14:48:16.633273Z",
"structure_string": "K6 Ni2 O4\n1.0\n6.113448 0.000000 0.000000\n0.000000 6.113448 0.000000\n0.000000 0.000000 7.041111\nK Ni O\n6 2 4\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.707637 0.707637 0.500000 O\n0.292363 0.292363 0.500000 O\n0.792363 0.207637 0.000000 O\n0.207637 0.792363 0.000000 O\n",
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"formula_full": "K6 Ni2 O4",
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{
"id": "mp-1194747",
"created_at": "2022-09-04T14:46:34.245193Z",
"structure_string": "Ca8 P8 H8 O32\n1.0\n6.958806 0.000000 0.000000\n0.000000 10.194087 0.000000\n0.000000 5.666025 9.706348\nCa P H O\n8 8 8 32\ndirect\n0.012516 0.039788 0.752700 Ca\n0.487484 0.039788 0.252700 Ca\n0.987484 0.960212 0.247300 Ca\n0.512516 0.960212 0.747300 Ca\n0.810489 0.697704 0.065747 Ca\n0.689511 0.697704 0.565747 Ca\n0.189511 0.302296 0.934253 Ca\n0.310489 0.302296 0.434253 Ca\n0.750346 0.104081 0.939000 P\n0.749654 0.104081 0.439000 P\n0.249654 0.895919 0.061000 P\n0.250346 0.895919 0.561000 P\n0.508723 0.330425 0.700864 P\n0.991277 0.330425 0.200864 P\n0.491277 0.669575 0.299136 P\n0.008723 0.669575 0.799136 P\n0.919520 0.354496 0.583371 H\n0.580480 0.354496 0.083371 H\n0.080480 0.645504 0.416629 H\n0.419520 0.645504 0.916629 H\n0.134013 0.357975 0.630715 H\n0.365987 0.357975 0.130715 H\n0.865987 0.642025 0.369285 H\n0.634013 0.642025 0.869285 H\n0.943218 0.182969 0.880209 O\n0.556782 0.182969 0.380209 O\n0.056782 0.817031 0.119791 O\n0.443218 0.817031 0.619791 O\n0.729871 0.977526 0.900726 O\n0.770129 0.977526 0.400726 O\n0.270129 0.022474 0.099274 O\n0.229871 0.022474 0.599274 O\n0.576142 0.223570 0.864629 O\n0.923858 0.223570 0.364629 O\n0.423858 0.776430 0.135371 O\n0.076142 0.776430 0.635371 O\n0.723372 0.045295 0.092816 O\n0.776628 0.045295 0.592816 O\n0.276628 0.954705 0.907184 O\n0.223372 0.954705 0.407184 O\n0.667168 0.445375 0.625177 O\n0.832832 0.445375 0.125177 O\n0.332832 0.554625 0.374823 O\n0.167168 0.554625 0.874823 O\n0.317529 0.394094 0.717027 O\n0.182471 0.394094 0.217027 O\n0.682471 0.605906 0.282973 O\n0.817529 0.605906 0.782973 O\n0.476551 0.222443 0.644381 O\n0.023449 0.222443 0.144381 O\n0.523449 0.777557 0.355619 O\n0.976551 0.777557 0.855619 O\n0.049263 0.313467 0.587070 O\n0.450737 0.313467 0.087070 O\n0.950737 0.686533 0.412930 O\n0.549263 0.686533 0.912930 O\n",
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{
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"structure_string": "K4 Mn4 Cl12\n1.0\n7.027723 0.000000 0.000000\n0.000000 7.157819 0.000000\n0.000000 0.000000 10.080137\nK Mn Cl\n4 4 12\ndirect\n0.987327 0.049591 0.250000 K\n0.487327 0.450409 0.750000 K\n0.512673 0.549591 0.250000 K\n0.012673 0.950409 0.750000 K\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.707192 0.292018 0.469143 Cl\n0.207192 0.207982 0.530857 Cl\n0.792808 0.792018 0.030857 Cl\n0.292808 0.707982 0.969143 Cl\n0.292808 0.707982 0.530857 Cl\n0.792808 0.792018 0.469143 Cl\n0.207192 0.207982 0.969143 Cl\n0.707192 0.292018 0.030857 Cl\n0.060472 0.493572 0.250000 Cl\n0.560472 0.006428 0.750000 Cl\n0.439528 0.993572 0.250000 Cl\n0.939528 0.506428 0.750000 Cl\n",
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{
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{
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