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{
"id": "mp-1197445",
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{
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"structure_string": "Hg8 I16\n1.0\n-4.583475 4.583475 13.218169\n4.583475 -4.583475 13.218169\n4.583475 4.583475 -13.218169\nHg I\n8 16\ndirect\n0.061119 0.306567 0.245447 Hg\n0.056567 0.311119 0.745447 Hg\n0.061119 0.815672 0.754553 Hg\n0.688881 0.434328 0.745447 Hg\n0.693433 0.938881 0.754553 Hg\n0.565672 0.311119 0.254553 Hg\n0.688881 0.943433 0.254553 Hg\n0.184328 0.938881 0.245447 Hg\n0.125687 0.625687 0.500000 I\n0.127739 0.127739 0.000000 I\n0.492111 0.507889 0.500000 I\n0.622261 0.122261 0.500000 I\n0.007889 0.507889 0.015778 I\n0.742111 0.257889 0.000000 I\n0.492111 0.992111 0.984222 I\n0.375687 0.375687 0.000000 I\n0.257889 0.742111 0.000000 I\n0.257889 0.257889 0.515778 I\n0.374313 0.874313 0.500000 I\n0.872261 0.872261 0.000000 I\n0.742111 0.742111 0.484222 I\n0.624313 0.624313 0.000000 I\n0.877739 0.377739 0.500000 I\n0.007889 0.992111 0.500000 I\n",
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},
{
"id": "mp-555088",
"created_at": "2022-09-04T14:42:27.588884Z",
"structure_string": "Nd8 S6 Br12\n1.0\n3.465242 14.878501 0.000000\n-3.465242 14.878501 0.000000\n0.000000 0.585529 7.183160\nNd S Br\n8 6 12\ndirect\n0.252680 0.633304 0.985074 Nd\n0.477925 0.864187 0.906155 Nd\n0.522075 0.135813 0.093845 Nd\n0.747320 0.366696 0.014926 Nd\n0.135813 0.522075 0.593845 Nd\n0.633304 0.252680 0.485074 Nd\n0.864187 0.477925 0.406155 Nd\n0.366696 0.747320 0.514926 Nd\n0.434684 0.332411 0.790756 S\n0.550395 0.449605 0.750000 S\n0.667589 0.565316 0.709244 S\n0.565316 0.667589 0.209244 S\n0.332411 0.434684 0.290756 S\n0.449605 0.550395 0.250000 S\n0.841285 0.055190 0.110020 Br\n0.158715 0.944810 0.889980 Br\n0.749758 0.938268 0.445580 Br\n0.817749 0.652056 0.685212 Br\n0.061732 0.250242 0.054420 Br\n0.250242 0.061732 0.554420 Br\n0.944810 0.158715 0.389980 Br\n0.055190 0.841285 0.610020 Br\n0.938268 0.749758 0.945580 Br\n0.347944 0.182251 0.814788 Br\n0.652056 0.817749 0.185212 Br\n0.182251 0.347944 0.314788 Br\n",
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{
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"structure_string": "Si19 C19\n1.0\n1.547200 -2.679829 0.000000\n1.547200 2.679829 0.000000\n0.000000 0.000000 48.099617\nSi C\n19 19\ndirect\n0.000000 0.000000 0.736845 Si\n0.000000 0.000000 0.947351 Si\n0.000000 0.000000 0.157891 Si\n0.666667 0.333333 0.684187 Si\n0.333333 0.666667 0.789428 Si\n0.666667 0.333333 0.368387 Si\n0.333333 0.666667 0.421034 Si\n0.000000 0.000000 0.631545 Si\n0.333333 0.666667 0.210536 Si\n0.000000 0.000000 0.526265 Si\n0.666667 0.333333 0.473684 Si\n0.333333 0.666667 0.894709 Si\n0.333333 0.666667 0.999978 Si\n0.666667 0.333333 0.842090 Si\n0.666667 0.333333 0.263107 Si\n0.000000 0.000000 0.315770 Si\n0.333333 0.666667 0.105245 Si\n0.333333 0.666667 0.578929 Si\n0.666667 0.333333 0.052622 Si\n0.333333 0.666667 0.618509 C\n0.333333 0.666667 0.828909 C\n0.666667 0.333333 0.723780 C\n0.000000 0.000000 0.776335 C\n0.666667 0.333333 0.407845 C\n0.000000 0.000000 0.355353 C\n0.000000 0.000000 0.671000 C\n0.333333 0.666667 0.144712 C\n0.000000 0.000000 0.986941 C\n0.333333 0.666667 0.460625 C\n0.333333 0.666667 0.934168 C\n0.000000 0.000000 0.197481 C\n0.666667 0.333333 0.513167 C\n0.000000 0.000000 0.565744 C\n0.666667 0.333333 0.302587 C\n0.333333 0.666667 0.250014 C\n0.333333 0.666667 0.039434 C\n0.666667 0.333333 0.881677 C\n0.666667 0.333333 0.092214 C\n",
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{
"id": "mp-1236914",
"created_at": "2022-09-04T14:42:39.067522Z",
"structure_string": "Cr6 P4 O16\n1.0\n10.622299 0.000000 0.000000\n0.000000 4.726289 0.000000\n0.000000 4.549856 6.473190\nCr P O\n6 4 16\ndirect\n0.364874 0.181034 0.924890 Cr\n0.135126 0.181034 0.424890 Cr\n0.635126 0.818966 0.075110 Cr\n0.864874 0.818966 0.575110 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.178595 0.629657 0.922268 P\n0.321405 0.629657 0.422268 P\n0.821405 0.370343 0.077732 P\n0.678595 0.370343 0.577732 P\n0.166800 0.287890 0.938008 O\n0.333200 0.287890 0.438008 O\n0.833200 0.712110 0.061992 O\n0.666800 0.712110 0.561992 O\n0.111100 0.570953 0.116919 O\n0.388900 0.570953 0.616919 O\n0.888900 0.429047 0.883081 O\n0.611100 0.429047 0.383081 O\n0.103997 0.924189 0.733007 O\n0.396003 0.924189 0.233007 O\n0.896003 0.075811 0.266993 O\n0.603997 0.075811 0.766993 O\n0.319366 0.715019 0.921900 O\n0.180634 0.715019 0.421900 O\n0.680634 0.284981 0.078100 O\n0.819366 0.284981 0.578100 O\n",
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"formula_full": "Cr6 P4 O16",
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{
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"structure_string": "Y4 Se4 O12 F4\n1.0\n7.003935 0.000000 0.000000\n0.000000 6.675683 0.000000\n0.000000 1.106021 7.216384\nY Se O F\n4 4 12 4\ndirect\n0.360195 0.140840 0.676273 Y\n0.860195 0.859160 0.823727 Y\n0.639805 0.859160 0.323727 Y\n0.139805 0.140840 0.176273 Y\n0.118989 0.649557 0.288723 Se\n0.881011 0.350443 0.711277 Se\n0.381011 0.649557 0.788723 Se\n0.618989 0.350443 0.211277 Se\n0.030957 0.174136 0.851361 O\n0.686353 0.512872 0.359503 O\n0.969043 0.825864 0.148639 O\n0.695122 0.175164 0.720002 O\n0.195122 0.824836 0.779998 O\n0.186353 0.487128 0.140497 O\n0.469043 0.174136 0.351361 O\n0.304878 0.824836 0.279998 O\n0.530957 0.825864 0.648639 O\n0.313647 0.487128 0.640497 O\n0.804878 0.175164 0.220002 O\n0.813647 0.512872 0.859503 O\n0.881520 0.832498 0.524653 F\n0.618480 0.832498 0.024653 F\n0.381520 0.167502 0.975347 F\n0.118480 0.167502 0.475347 F\n",
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{
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"structure_string": "Cu6 Se18 I6\n1.0\n6.468496 -7.094298 0.000000\n6.468496 7.094298 0.000000\n-1.312148 0.000000 9.510456\nCu Se I\n6 18 6\ndirect\n0.390873 0.887286 0.887286 Cu\n0.887286 0.887286 0.390873 Cu\n0.887286 0.390873 0.887286 Cu\n0.112714 0.609127 0.112714 Cu\n0.609127 0.112714 0.112714 Cu\n0.112714 0.112714 0.609127 Cu\n0.875066 0.610869 0.610869 Se\n0.610869 0.610869 0.875066 Se\n0.610869 0.875066 0.610869 Se\n0.389131 0.124934 0.389131 Se\n0.124934 0.389131 0.389131 Se\n0.389131 0.389131 0.124934 Se\n0.137771 0.874181 0.874181 Se\n0.874181 0.874181 0.137771 Se\n0.874181 0.137771 0.874181 Se\n0.125819 0.862229 0.125819 Se\n0.862229 0.125819 0.125819 Se\n0.125819 0.125819 0.862229 Se\n0.453754 0.712699 0.712699 Se\n0.712699 0.712699 0.453754 Se\n0.712699 0.453754 0.712699 Se\n0.287301 0.546246 0.287301 Se\n0.546246 0.287301 0.287301 Se\n0.287301 0.287301 0.546246 Se\n0.147471 0.852529 0.500000 I\n0.852529 0.500000 0.147471 I\n0.500000 0.147471 0.852529 I\n0.852529 0.147471 0.500000 I\n0.147471 0.500000 0.852529 I\n0.500000 0.852529 0.147471 I\n",
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{
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"structure_string": "Mn4 Al11\n1.0\n5.026305 0.000000 0.000000\n-0.912258 4.963417 0.000000\n-0.012702 -2.356028 8.451363\nMn Al\n4 11\ndirect\n0.285827 0.149717 0.598618 Mn\n0.714173 0.850283 0.401382 Mn\n0.664607 0.610986 0.866796 Mn\n0.335393 0.389014 0.133204 Mn\n0.000000 0.000000 0.000000 Al\n0.948751 0.819413 0.675115 Al\n0.051249 0.180587 0.324885 Al\n0.800897 0.269584 0.632497 Al\n0.844793 0.531145 0.126747 Al\n0.155207 0.468855 0.873253 Al\n0.493457 0.892370 0.125154 Al\n0.506543 0.107630 0.874846 Al\n0.566953 0.328339 0.373932 Al\n0.433047 0.671661 0.626068 Al\n0.199103 0.730416 0.367503 Al\n",
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{
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"created_at": "2022-09-04T14:42:43.814792Z",
"structure_string": "Li2 Al2 Si8 O20\n1.0\n5.207876 0.000000 0.000000\n0.000000 7.735855 0.000000\n0.000000 4.617988 10.965532\nLi Al Si O\n2 2 8 20\ndirect\n0.748646 0.000294 0.249816 Li\n0.251354 0.000294 0.749816 Li\n0.246758 0.000090 0.248044 Al\n0.753242 0.000090 0.748044 Al\n0.489066 0.291032 0.500147 Si\n0.510934 0.291032 0.000147 Si\n0.484989 0.712480 0.995035 Si\n0.515011 0.712480 0.495035 Si\n0.990049 0.288010 0.351711 Si\n0.009951 0.288010 0.851711 Si\n0.987785 0.708945 0.145882 Si\n0.012215 0.708945 0.645882 Si\n0.507762 0.503932 0.493514 O\n0.492238 0.503932 0.993514 O\n0.022180 0.496966 0.246035 O\n0.977820 0.496966 0.746035 O\n0.699447 0.261785 0.407512 O\n0.300553 0.261785 0.907512 O\n0.696985 0.731874 0.090600 O\n0.303015 0.731874 0.590600 O\n0.467447 0.138240 0.138084 O\n0.532553 0.138240 0.638084 O\n0.469005 0.869982 0.359374 O\n0.530995 0.869982 0.859374 O\n0.198591 0.261172 0.459674 O\n0.801409 0.261172 0.959674 O\n0.197704 0.746404 0.037182 O\n0.802296 0.746404 0.537182 O\n0.026611 0.130079 0.294788 O\n0.973389 0.130079 0.794788 O\n0.026193 0.862215 0.207103 O\n0.973807 0.862215 0.707103 O\n",
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"formula_full": "Li2 Al2 Si8 O20",
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"structure_string": "Tl6 Fe6 Br18\n1.0\n6.350703 -10.999741 0.000000\n6.350703 10.999741 0.000000\n0.000000 0.000000 6.035159\nTl Fe Br\n6 6 18\ndirect\n0.671070 0.000000 0.758182 Tl\n0.328930 0.000000 0.258182 Tl\n0.000000 0.328930 0.258182 Tl\n0.328930 0.328930 0.758182 Tl\n0.000000 0.671070 0.758182 Tl\n0.671070 0.671070 0.258182 Tl\n0.333333 0.666667 0.486537 Fe\n0.000000 0.000000 0.062215 Fe\n0.666667 0.333333 0.986537 Fe\n0.333333 0.666667 0.986537 Fe\n0.000000 0.000000 0.562215 Fe\n0.666667 0.333333 0.486537 Fe\n0.000000 0.828802 0.316908 Br\n0.171198 0.000000 0.816908 Br\n0.514388 0.333393 0.235740 Br\n0.828802 0.000000 0.316908 Br\n0.000000 0.171198 0.816908 Br\n0.171198 0.171198 0.316908 Br\n0.828802 0.828802 0.816908 Br\n0.666607 0.180995 0.235740 Br\n0.666607 0.485612 0.735740 Br\n0.485612 0.666607 0.735740 Br\n0.819005 0.333393 0.735740 Br\n0.333393 0.819005 0.735740 Br\n0.333393 0.514388 0.235740 Br\n0.819005 0.485612 0.235740 Br\n0.514388 0.180995 0.735740 Br\n0.180995 0.514388 0.735740 Br\n0.180995 0.666607 0.235740 Br\n0.485612 0.819005 0.235740 Br\n",
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}