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{
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{
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{
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{
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"structure_string": "Sm12 Al3 Si15 N21 O21\n1.0\n6.835290 0.000000 0.000000\n-0.041661 6.970998 0.000000\n-2.392980 -0.864284 19.815466\nSm Al Si N O\n12 3 15 21 21\ndirect\n0.297022 0.375617 0.725196 Sm\n0.360519 0.390478 0.421021 Sm\n0.626372 0.440415 0.888982 Sm\n0.773927 0.369336 0.609755 Sm\n0.238654 0.391948 0.065317 Sm\n0.664128 0.370612 0.259564 Sm\n0.125413 0.598206 0.914746 Sm\n0.190642 0.643638 0.567206 Sm\n0.247749 0.613780 0.245199 Sm\n0.816416 0.683256 0.407466 Sm\n0.791784 0.657017 0.752740 Sm\n0.711167 0.597666 0.088683 Sm\n0.962800 0.969799 0.671309 Al\n0.338939 0.790431 0.388792 Al\n0.394866 0.869793 0.011330 Al\n0.007807 0.928563 0.051007 Si\n0.520084 0.034264 0.829523 Si\n0.932344 0.029928 0.344021 Si\n0.411251 0.005512 0.173771 Si\n0.728564 0.904494 0.974068 Si\n0.337518 0.851243 0.702997 Si\n0.558048 0.826447 0.620464 Si\n0.730726 0.829813 0.264945 Si\n0.132756 0.120682 0.895411 Si\n0.124014 0.168692 0.552441 Si\n0.872385 0.206815 0.789874 Si\n0.120971 0.159629 0.264487 Si\n0.903568 0.246730 0.459730 Si\n0.835506 0.198278 0.135689 Si\n0.516645 0.063388 0.495518 Si\n0.561026 0.589832 0.646072 N\n0.496781 0.636951 0.338750 N\n0.617615 0.210689 0.789509 N\n0.421840 0.259126 0.161434 N\n0.674608 0.249134 0.489590 N\n0.592589 0.290549 0.123363 N\n0.157629 0.666867 0.694232 N\n0.525507 0.829917 0.527401 N\n0.959705 0.687990 0.656004 N\n0.008111 0.678999 0.030653 N\n0.467760 0.630101 0.816025 N\n0.467059 0.815132 0.785124 N\n0.832315 0.663169 0.974430 N\n0.072203 0.777175 0.342097 N\n0.601764 0.671955 0.201394 N\n0.435905 0.681026 0.478276 N\n0.449626 0.754659 0.150766 N\n0.944576 0.678571 0.285249 N\n0.917309 0.440588 0.836311 N\n0.030454 0.470638 0.463471 N\n0.968455 0.286781 0.208529 N\n0.417594 0.610007 0.005469 O\n0.163244 0.294987 0.956172 O\n0.930207 0.295714 0.715842 O\n0.341716 0.170092 0.858437 O\n0.130594 0.347989 0.610745 O\n0.823868 0.260947 0.363371 O\n0.357883 0.191591 0.535534 O\n0.295735 0.309899 0.300628 O\n0.914300 0.310320 0.072950 O\n0.946623 0.005349 0.430244 O\n0.898555 0.966469 0.760765 O\n0.887362 0.961030 0.120508 O\n0.082783 0.963539 0.585921 O\n0.222229 0.920048 0.936742 O\n0.233146 0.978976 0.224665 O\n0.673303 0.978990 0.896987 O\n0.711490 0.017689 0.629882 O\n0.629057 0.028669 0.226921 O\n0.219001 0.054598 0.709428 O\n0.399845 0.030135 0.416627 O\n0.246044 0.996645 0.072236 O\n",
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"formula_full": "Sm12 Al3 Si15 N21 O21",
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{
"id": "mp-1214116",
"created_at": "2022-09-04T14:42:18.191377Z",
"structure_string": "Ca4 Y2 Nb2 O12\n1.0\n4.658935 0.000000 -3.205154\n0.000000 5.870175 0.000000\n4.669953 0.000000 6.688601\nCa Y Nb O\n4 2 2 12\ndirect\n0.014447 0.445667 0.250714 Ca\n0.985553 0.554333 0.749286 Ca\n0.485553 0.945667 0.249286 Ca\n0.514447 0.054333 0.750714 Ca\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.885549 0.046070 0.265783 O\n0.114451 0.953930 0.734217 O\n0.614451 0.546070 0.234217 O\n0.385549 0.453930 0.765783 O\n0.210178 0.683849 0.059346 O\n0.789822 0.316151 0.940654 O\n0.289822 0.183849 0.440654 O\n0.710178 0.816151 0.559346 O\n0.322848 0.210445 0.062907 O\n0.677152 0.789555 0.937093 O\n0.177152 0.710445 0.437093 O\n0.822848 0.289555 0.562907 O\n",
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{
"id": "mp-1198388",
"created_at": "2022-09-04T14:42:18.199031Z",
"structure_string": "Y8 Mn12 Si20\n1.0\n10.557720 0.000000 0.000000\n0.000000 10.557720 0.000000\n0.000000 0.000000 5.440985\nY Mn Si\n8 12 20\ndirect\n0.574502 0.736433 0.500000 Y\n0.425498 0.263567 0.500000 Y\n0.074502 0.763567 0.000000 Y\n0.925498 0.236433 0.000000 Y\n0.263567 0.574502 0.500000 Y\n0.736433 0.425498 0.500000 Y\n0.236433 0.074502 0.000000 Y\n0.763567 0.925498 0.000000 Y\n0.877216 0.853242 0.500000 Mn\n0.122784 0.146758 0.500000 Mn\n0.377216 0.646758 0.000000 Mn\n0.622784 0.353242 0.000000 Mn\n0.146758 0.877216 0.500000 Mn\n0.853242 0.122784 0.500000 Mn\n0.353242 0.377216 0.000000 Mn\n0.646758 0.622784 0.000000 Mn\n0.500000 0.000000 0.250000 Mn\n0.000000 0.500000 0.750000 Mn\n0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.750000 Mn\n0.675313 0.175313 0.250000 Si\n0.324687 0.824687 0.250000 Si\n0.175313 0.324687 0.750000 Si\n0.824687 0.675313 0.750000 Si\n0.824687 0.675313 0.250000 Si\n0.175313 0.324687 0.250000 Si\n0.675313 0.175313 0.750000 Si\n0.324687 0.824687 0.750000 Si\n0.500000 0.500000 0.234786 Si\n0.000000 0.000000 0.734786 Si\n0.500000 0.500000 0.765214 Si\n0.000000 0.000000 0.265214 Si\n0.684116 0.976506 0.500000 Si\n0.315884 0.023494 0.500000 Si\n0.184116 0.523494 0.000000 Si\n0.815884 0.476506 0.000000 Si\n0.023494 0.684116 0.500000 Si\n0.976506 0.315884 0.500000 Si\n0.476506 0.184116 0.000000 Si\n0.523494 0.815884 0.000000 Si\n",
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{
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{
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