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{
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"formula_full": "Li6 Mn3 Fe3 B6 O18",
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{
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"structure_string": "Be6 Cd8 Si6 Se2 O24\n1.0\n8.611327 0.000000 0.000000\n0.000000 8.611327 0.000000\n0.000000 0.000000 8.611327\nBe Cd Si Se O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.323690 0.676310 0.323690 Cd\n0.676310 0.323690 0.323690 Cd\n0.823690 0.823690 0.176310 Cd\n0.176310 0.823690 0.823690 Cd\n0.823690 0.176310 0.823690 Cd\n0.676310 0.676310 0.676310 Cd\n0.176310 0.176310 0.176310 Cd\n0.323690 0.323690 0.676310 Cd\n0.750000 0.000000 0.500000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n0.855116 0.432654 0.855221 O\n0.855116 0.567346 0.144779 O\n0.432654 0.855221 0.855116 O\n0.567346 0.855221 0.144884 O\n0.855221 0.855116 0.432654 O\n0.144779 0.144884 0.432654 O\n0.355116 0.355221 0.932654 O\n0.144884 0.432654 0.144779 O\n0.144884 0.567346 0.855221 O\n0.567346 0.144779 0.855116 O\n0.432654 0.144779 0.144884 O\n0.855221 0.144884 0.567346 O\n0.144779 0.855116 0.567346 O\n0.932654 0.355116 0.355221 O\n0.355221 0.932654 0.355116 O\n0.644779 0.067346 0.355116 O\n0.932654 0.644884 0.644779 O\n0.644779 0.932654 0.644884 O\n0.067346 0.644884 0.355221 O\n0.067346 0.355116 0.644779 O\n0.355221 0.067346 0.644884 O\n0.355116 0.644779 0.067346 O\n0.644884 0.355221 0.067346 O\n0.644884 0.644779 0.932654 O\n",
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{
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"structure_string": "Cs8 Na8 Ge16\n1.0\n9.856654 0.000000 0.000000\n0.000000 8.620402 0.000000\n0.000000 4.881649 12.563247\nCs Na Ge\n8 8 16\ndirect\n0.981575 0.491740 0.278291 Cs\n0.481575 0.508260 0.221709 Cs\n0.018425 0.508260 0.721709 Cs\n0.518425 0.491740 0.778291 Cs\n0.204028 0.653878 0.965735 Cs\n0.704028 0.346122 0.534265 Cs\n0.795972 0.346122 0.034265 Cs\n0.295972 0.653878 0.465735 Cs\n0.099670 0.053890 0.396176 Na\n0.535622 0.950845 0.684050 Na\n0.035622 0.049155 0.815950 Na\n0.400330 0.053890 0.896176 Na\n0.900330 0.946110 0.603824 Na\n0.599670 0.946110 0.103824 Na\n0.464378 0.049155 0.315950 Na\n0.964378 0.950845 0.184050 Na\n0.597783 0.763357 0.941187 Ge\n0.164830 0.188310 0.987861 Ge\n0.335170 0.188310 0.487861 Ge\n0.664830 0.811690 0.512139 Ge\n0.689656 0.781519 0.328935 Ge\n0.189656 0.218481 0.171065 Ge\n0.310344 0.218481 0.671065 Ge\n0.810344 0.781519 0.828935 Ge\n0.776829 0.055294 0.354439 Ge\n0.402217 0.236643 0.058813 Ge\n0.902217 0.763357 0.441187 Ge\n0.723171 0.055294 0.854439 Ge\n0.223171 0.944706 0.645561 Ge\n0.276829 0.944706 0.145561 Ge\n0.835170 0.811690 0.012139 Ge\n0.097783 0.236643 0.558813 Ge\n",
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{
"id": "mp-766179",
"created_at": "2022-09-04T14:48:12.158301Z",
"structure_string": "Li4 Si12 Bi4 O32\n1.0\n6.464920 4.273727 0.000000\n-6.464920 4.273727 0.000000\n0.000000 2.613248 12.691369\nLi Si Bi O\n4 12 4 32\ndirect\n0.586946 0.863050 0.823445 Li\n0.863050 0.586946 0.323445 Li\n0.198007 0.065239 0.623395 Li\n0.065239 0.198007 0.123395 Li\n0.372905 0.109896 0.838017 Si\n0.935627 0.824168 0.877000 Si\n0.276113 0.448490 0.896061 Si\n0.109896 0.372905 0.338017 Si\n0.552442 0.723507 0.598490 Si\n0.824168 0.935627 0.377000 Si\n0.448490 0.276113 0.396061 Si\n0.127021 0.411869 0.671362 Si\n0.884194 0.648068 0.664891 Si\n0.723507 0.552442 0.098490 Si\n0.648068 0.884194 0.164891 Si\n0.411869 0.127021 0.171362 Si\n0.643322 0.182762 0.584022 Bi\n0.806842 0.210635 0.933809 Bi\n0.182762 0.643322 0.084022 Bi\n0.210635 0.806842 0.433809 Bi\n0.165896 0.922040 0.870388 O\n0.421840 0.650089 0.913872 O\n0.569341 0.884499 0.671895 O\n0.423810 0.166322 0.708793 O\n0.527450 0.051603 0.889652 O\n0.362015 0.288249 0.890527 O\n0.841916 0.976843 0.872391 O\n0.650089 0.421840 0.413872 O\n0.922040 0.165896 0.370388 O\n0.166322 0.423810 0.208793 O\n0.884499 0.569341 0.171895 O\n0.066763 0.211508 0.636774 O\n0.670771 0.594931 0.632857 O\n0.051603 0.527449 0.389652 O\n0.651202 0.850552 0.479988 O\n0.388919 0.101598 0.499923 O\n0.927724 0.455865 0.667649 O\n0.976843 0.841916 0.372391 O\n0.288249 0.362015 0.390527 O\n0.878545 0.706390 0.780462 O\n0.156544 0.433033 0.795242 O\n0.325024 0.587463 0.596585 O\n0.056079 0.814073 0.582511 O\n0.211508 0.066763 0.136774 O\n0.594931 0.670771 0.132857 O\n0.101598 0.388919 0.999923 O\n0.850552 0.651202 0.979988 O\n0.455865 0.927724 0.167649 O\n0.433033 0.156544 0.295242 O\n0.706390 0.878545 0.280462 O\n0.814073 0.056079 0.082511 O\n0.587463 0.325024 0.096585 O\n",
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{
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"structure_string": "In1 Bi2 S4 Cl1\n1.0\n1.971382 6.301410 0.000000\n-1.971382 6.301410 0.000000\n0.000000 3.711059 7.771656\nIn Bi S Cl\n1 2 4 1\ndirect\n0.000000 0.000000 0.000000 In\n0.795659 0.795659 0.724841 Bi\n0.204341 0.204341 0.275159 Bi\n0.163400 0.163400 0.683118 S\n0.374586 0.374586 0.945921 S\n0.836600 0.836600 0.316882 S\n0.625414 0.625414 0.054079 S\n0.500000 0.500000 0.500000 Cl\n",
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{
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"structure_string": "Tm4 Mn4 B16\n1.0\n3.370989 0.000000 0.000000\n0.000000 5.875960 0.000000\n0.000000 0.000000 11.356289\nTm Mn B\n4 4 16\ndirect\n0.500000 0.374053 0.150131 Tm\n0.500000 0.625946 0.849869 Tm\n0.500000 0.125947 0.650131 Tm\n0.500000 0.874054 0.349869 Tm\n0.500000 0.371467 0.415587 Mn\n0.500000 0.628533 0.584413 Mn\n0.500000 0.128533 0.915587 Mn\n0.500000 0.871467 0.084413 Mn\n0.000000 0.112821 0.046685 B\n0.000000 0.887179 0.953315 B\n0.000000 0.387179 0.546685 B\n0.000000 0.612821 0.453315 B\n0.000000 0.136904 0.467805 B\n0.000000 0.863096 0.532196 B\n0.000000 0.363096 0.967804 B\n0.000000 0.636904 0.032195 B\n0.000000 0.024768 0.191685 B\n0.000000 0.975232 0.808315 B\n0.000000 0.475232 0.691685 B\n0.000000 0.524768 0.308315 B\n0.000000 0.217583 0.315358 B\n0.000000 0.782417 0.684642 B\n0.000000 0.282417 0.815358 B\n0.000000 0.717583 0.184642 B\n",
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{
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"structure_string": "Li12 Cr4 P4 C4 O28\n1.0\n6.460069 0.000000 0.000000\n-0.011577 8.676076 0.000000\n-0.014704 -0.830184 9.998542\nLi Cr P C O\n12 4 4 4 28\ndirect\n0.740034 0.899224 0.381818 Li\n0.743983 0.899980 0.885048 Li\n0.529761 0.714303 0.123973 Li\n0.969889 0.726473 0.628522 Li\n0.530663 0.727093 0.628706 Li\n0.747565 0.344813 0.105962 Li\n0.484543 0.272836 0.359626 Li\n0.016750 0.275421 0.361285 Li\n0.484807 0.276721 0.883639 Li\n0.013583 0.274131 0.884648 Li\n0.250583 0.116842 0.107974 Li\n0.251377 0.105920 0.616922 Li\n0.003725 0.738640 0.131160 Cr\n0.250902 0.661704 0.401920 Cr\n0.255177 0.660404 0.882975 Cr\n0.750140 0.331229 0.604480 Cr\n0.749225 0.585460 0.361093 P\n0.750346 0.583750 0.858316 P\n0.247086 0.409475 0.139601 P\n0.250733 0.409184 0.640224 P\n0.243486 0.967931 0.349691 C\n0.248509 0.968704 0.854238 C\n0.751044 0.037885 0.148674 C\n0.750791 0.030591 0.648623 C\n0.252343 0.944779 0.473817 O\n0.762719 0.889045 0.181372 O\n0.244102 0.940938 0.978960 O\n0.238648 0.842883 0.262442 O\n0.750642 0.890915 0.688308 O\n0.253020 0.851452 0.762689 O\n0.937082 0.684923 0.417334 O\n0.563882 0.687130 0.417275 O\n0.940209 0.684729 0.914843 O\n0.565869 0.685758 0.916186 O\n0.245188 0.580575 0.093307 O\n0.749011 0.575226 0.205978 O\n0.250905 0.577498 0.597507 O\n0.751171 0.581749 0.703638 O\n0.249766 0.423678 0.295669 O\n0.748454 0.421154 0.409006 O\n0.251773 0.417762 0.795650 O\n0.751189 0.420293 0.903553 O\n0.056609 0.315312 0.087812 O\n0.438605 0.319875 0.084770 O\n0.436727 0.311415 0.582349 O\n0.063608 0.311797 0.582711 O\n0.738535 0.143680 0.244791 O\n0.243097 0.103343 0.305939 O\n0.750243 0.149489 0.737781 O\n0.751222 0.063434 0.025211 O\n0.249347 0.108634 0.817952 O\n0.751327 0.053820 0.524034 O\n",
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}