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{
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{
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"structure_string": "Rb6 Tm2 S6 O24\n1.0\n7.748417 5.589880 0.000000\n-7.748417 5.589880 0.000000\n0.000000 5.562107 7.719637\nRb Tm S O\n6 2 6 24\ndirect\n0.814792 0.802027 0.148410 Rb\n0.454792 0.927878 0.877855 Rb\n0.717538 0.329730 0.957969 Rb\n0.927878 0.454792 0.377855 Rb\n0.802027 0.814792 0.648410 Rb\n0.329730 0.717538 0.457969 Rb\n0.168627 0.351143 0.996877 Tm\n0.351143 0.168627 0.496877 Tm\n0.090592 0.296552 0.699063 S\n0.296552 0.090592 0.199063 S\n0.493514 0.376879 0.645996 S\n0.102647 0.717169 0.854225 S\n0.717169 0.102647 0.354225 S\n0.376879 0.493514 0.145996 S\n0.583081 0.155359 0.349099 O\n0.747142 0.953939 0.893568 O\n0.155359 0.583081 0.849099 O\n0.092789 0.730580 0.006382 O\n0.643602 0.419544 0.667052 O\n0.730580 0.092789 0.506382 O\n0.176611 0.112133 0.130313 O\n0.336713 0.958135 0.176159 O\n0.390109 0.186643 0.720127 O\n0.449976 0.537139 0.959826 O\n0.883123 0.242907 0.189842 O\n0.186643 0.390109 0.220127 O\n0.030638 0.204980 0.892854 O\n0.939091 0.670041 0.856410 O\n0.419544 0.643602 0.167052 O\n0.670041 0.939091 0.356410 O\n0.537139 0.449976 0.459826 O\n0.242907 0.883123 0.689842 O\n0.112133 0.176611 0.630313 O\n0.438543 0.384503 0.232776 O\n0.204980 0.030638 0.392854 O\n0.384503 0.438543 0.732776 O\n0.958135 0.336713 0.676159 O\n0.953939 0.747142 0.393568 O\n",
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{
"id": "mp-6765",
"created_at": "2022-09-04T14:47:38.087042Z",
"structure_string": "Li12 Al4 Ge4 O20\n1.0\n4.949639 0.000000 0.000000\n0.000000 5.455171 0.000000\n0.000000 0.000000 16.005657\nLi Al Ge O\n12 4 4 20\ndirect\n0.490487 0.321120 0.400731 Li\n0.990487 0.678880 0.599269 Li\n0.990487 0.178880 0.900731 Li\n0.490487 0.821120 0.099269 Li\n0.492613 0.838082 0.503038 Li\n0.992613 0.161918 0.496962 Li\n0.992613 0.661918 0.003038 Li\n0.492613 0.338082 0.996962 Li\n0.490549 0.836034 0.699147 Li\n0.990549 0.163966 0.300853 Li\n0.990549 0.663966 0.199147 Li\n0.490549 0.336034 0.800853 Li\n0.490001 0.324360 0.201895 Al\n0.990001 0.675640 0.798105 Al\n0.990001 0.175640 0.701895 Al\n0.490001 0.824360 0.298105 Al\n0.994999 0.160597 0.097437 Ge\n0.494999 0.839403 0.902563 Ge\n0.494999 0.339403 0.597437 Ge\n0.994999 0.660597 0.402563 Ge\n0.583822 0.136988 0.288138 O\n0.130920 0.811065 0.890183 O\n0.130920 0.311065 0.609817 O\n0.630920 0.188935 0.109817 O\n0.094824 0.316363 0.007953 O\n0.594824 0.683637 0.992047 O\n0.594824 0.183637 0.507953 O\n0.094824 0.816363 0.492047 O\n0.090864 0.853668 0.103152 O\n0.590864 0.146332 0.896848 O\n0.590864 0.646332 0.603152 O\n0.090864 0.353668 0.396848 O\n0.127922 0.314149 0.190669 O\n0.627922 0.685851 0.809331 O\n0.627922 0.185851 0.690669 O\n0.127922 0.814149 0.309331 O\n0.083822 0.363012 0.788138 O\n0.583822 0.636988 0.211862 O\n0.630920 0.688935 0.390183 O\n0.083822 0.863012 0.711862 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "Li12 Al4 Ge4 O20",
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},
{
"id": "mp-1103214",
"created_at": "2022-09-04T14:47:38.105709Z",
"structure_string": "Sr6 Fe4 Cl4 O8\n1.0\n-4.079286 4.079099 -0.000045\n-4.079455 -4.079268 0.000032\n-2.039619 2.039428 11.374533\nSr Fe Cl O\n6 4 4 8\ndirect\n0.500026 0.500036 0.999999 Sr\n0.999993 0.999978 0.999999 Sr\n0.151796 0.999997 0.696388 Sr\n0.651793 0.499996 0.696390 Sr\n0.348197 0.499992 0.303612 Sr\n0.848199 0.000004 0.303612 Sr\n0.424649 0.000006 0.150715 Fe\n0.075362 0.500006 0.849281 Fe\n0.924656 0.499996 0.150713 Fe\n0.575358 0.000012 0.849280 Fe\n0.295221 0.999991 0.409542 Cl\n0.795221 0.500006 0.409536 Cl\n0.204771 0.499996 0.590457 Cl\n0.704775 0.999994 0.590459 Cl\n0.827580 0.249997 0.844842 O\n0.327579 0.749998 0.844843 O\n0.327569 0.250002 0.844859 O\n0.827590 0.749995 0.844829 O\n0.672426 0.249996 0.155141 O\n0.172406 0.749995 0.155178 O\n0.172437 0.249999 0.155130 O\n0.672396 0.750007 0.155193 O\n",
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{
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"created_at": "2022-09-04T14:47:38.135869Z",
"structure_string": "Si6 Mo10\n1.0\n0.000000 0.000000 -5.067710\n-3.659827 -6.339006 0.000000\n-3.660146 6.339191 0.000000\nSi Mo\n6 10\ndirect\n0.749980 0.607221 0.000000 Si\n0.750010 0.392794 0.392871 Si\n0.750010 0.999923 0.607129 Si\n0.249980 0.392779 0.000000 Si\n0.250010 0.607206 0.607129 Si\n0.250010 0.000077 0.392871 Si\n0.500000 0.333334 0.666688 Mo\n0.500000 0.666647 0.333312 Mo\n0.000000 0.666666 0.333312 Mo\n0.000000 0.333353 0.666688 Mo\n0.750004 0.239889 0.000000 Mo\n0.749998 0.760144 0.760098 Mo\n0.749998 0.000046 0.239902 Mo\n0.250004 0.760111 0.000000 Mo\n0.249998 0.239856 0.239902 Mo\n0.249998 0.999954 0.760098 Mo\n",
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{
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"structure_string": "Nd4 Ge4 B4 O20\n1.0\n7.681110 0.000000 0.000000\n0.000000 5.010005 0.000000\n0.000000 0.343516 10.137588\nNd Ge B O\n4 4 4 20\ndirect\n0.108014 0.006737 0.320658 Nd\n0.608014 0.993263 0.179342 Nd\n0.891986 0.993263 0.679342 Nd\n0.391986 0.006737 0.820658 Nd\n0.765489 0.471140 0.424150 Ge\n0.265489 0.528860 0.075850 Ge\n0.234511 0.528860 0.575850 Ge\n0.734511 0.471140 0.924150 Ge\n0.096174 0.455034 0.830719 B\n0.596174 0.544966 0.669281 B\n0.903826 0.544966 0.169281 B\n0.403826 0.455034 0.330719 B\n0.103184 0.733799 0.810490 O\n0.603184 0.266201 0.689510 O\n0.896816 0.266201 0.189510 O\n0.396816 0.733799 0.310490 O\n0.214354 0.338852 0.935974 O\n0.714354 0.661148 0.564026 O\n0.785646 0.661148 0.064026 O\n0.285646 0.338852 0.435974 O\n0.160027 0.297503 0.704375 O\n0.660027 0.702497 0.795625 O\n0.839973 0.702497 0.295625 O\n0.339973 0.297503 0.204375 O\n0.089046 0.777823 0.527592 O\n0.589046 0.222177 0.972408 O\n0.910954 0.222177 0.472408 O\n0.410954 0.777823 0.027592 O\n0.078958 0.671127 0.150044 O\n0.578958 0.328873 0.349956 O\n0.921042 0.328873 0.849956 O\n0.421042 0.671127 0.650044 O\n",
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{
"id": "mp-562390",
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"structure_string": "K8 Co2 Mo8 O30\n1.0\n5.239820 -9.075635 0.000000\n5.239820 9.075635 0.000000\n0.000000 0.000000 8.310326\nK Co Mo O\n8 2 8 30\ndirect\n0.092489 0.695045 0.140186 K\n0.602556 0.907511 0.140186 K\n0.397444 0.092489 0.859814 K\n0.000000 0.000000 0.000000 K\n0.907511 0.304955 0.859814 K\n0.695045 0.602556 0.859814 K\n0.304955 0.397444 0.140186 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.473978 Co\n0.666667 0.333333 0.526022 Co\n0.987438 0.329118 0.365492 Mo\n0.012562 0.670882 0.634508 Mo\n0.341680 0.012562 0.365492 Mo\n0.666667 0.333333 0.148781 Mo\n0.658320 0.987438 0.634508 Mo\n0.333333 0.666667 0.851219 Mo\n0.670882 0.658320 0.365492 Mo\n0.329118 0.341680 0.634508 Mo\n0.477278 0.815399 0.653538 O\n0.661879 0.477278 0.346462 O\n0.729552 0.990111 0.441917 O\n0.488987 0.639388 0.346087 O\n0.176371 0.519290 0.945006 O\n0.150401 0.511013 0.346087 O\n0.270448 0.009889 0.558083 O\n0.360612 0.849599 0.346087 O\n0.519290 0.342918 0.054994 O\n0.849599 0.488987 0.653913 O\n0.338121 0.522722 0.653538 O\n0.815399 0.338121 0.346462 O\n0.990111 0.260559 0.558083 O\n0.739441 0.729552 0.558083 O\n0.342918 0.823629 0.945006 O\n0.823629 0.480710 0.054994 O\n0.220104 0.003895 0.210120 O\n0.009889 0.739441 0.441917 O\n0.657082 0.176371 0.054994 O\n0.779896 0.996105 0.789880 O\n0.996105 0.216209 0.210120 O\n0.522722 0.184601 0.346462 O\n0.511013 0.360612 0.653913 O\n0.184601 0.661879 0.653538 O\n0.260559 0.270448 0.441917 O\n0.639388 0.150401 0.653913 O\n0.783791 0.779896 0.210120 O\n0.003895 0.783791 0.789880 O\n0.480710 0.657082 0.945006 O\n0.216209 0.220104 0.789880 O\n",
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{
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{
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"structure_string": "Sr4 Lu8 Se16\n1.0\n4.089803 0.000000 0.000000\n0.000000 12.530582 0.000000\n0.000000 0.000000 14.777105\nSr Lu Se\n4 8 16\ndirect\n0.250000 0.759976 0.333788 Sr\n0.250000 0.259976 0.166212 Sr\n0.750000 0.240024 0.666212 Sr\n0.750000 0.740024 0.833788 Sr\n0.250000 0.439255 0.389199 Lu\n0.250000 0.939255 0.110801 Lu\n0.750000 0.560745 0.610801 Lu\n0.750000 0.060745 0.889199 Lu\n0.250000 0.417201 0.902649 Lu\n0.250000 0.917201 0.597351 Lu\n0.750000 0.582799 0.097351 Lu\n0.750000 0.082799 0.402649 Lu\n0.250000 0.204698 0.831575 Se\n0.250000 0.704698 0.668425 Se\n0.750000 0.795302 0.168425 Se\n0.750000 0.295302 0.331575 Se\n0.250000 0.128033 0.530393 Se\n0.250000 0.628033 0.969607 Se\n0.750000 0.871967 0.469607 Se\n0.750000 0.371967 0.030393 Se\n0.250000 0.028212 0.284569 Se\n0.250000 0.528212 0.215431 Se\n0.750000 0.971788 0.715431 Se\n0.750000 0.471788 0.784569 Se\n0.250000 0.409344 0.576461 Se\n0.250000 0.909344 0.923539 Se\n0.750000 0.590656 0.423539 Se\n0.750000 0.090656 0.076461 Se\n",
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{
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"structure_string": "Ni3 Se3\n1.0\n3.093760 -5.000674 0.000000\n3.093760 5.000674 0.000000\n-4.989203 0.000000 3.112225\nNi Se\n3 3\ndirect\n0.263523 0.007586 0.007586 Ni\n0.007586 0.007586 0.263523 Ni\n0.007586 0.263523 0.007586 Ni\n0.384575 0.724365 0.724365 Se\n0.724365 0.724365 0.384575 Se\n0.724365 0.384575 0.724365 Se\n",
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{
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"structure_string": "Si4 O10\n1.0\n-2.602654 3.220115 6.323725\n2.602654 -3.220115 6.323725\n2.602654 3.220115 -6.323725\nSi O\n4 10\ndirect\n0.506447 0.573594 0.850601 Si\n0.493553 0.344154 0.067146 Si\n0.777008 0.844154 0.850601 Si\n0.222992 0.073594 0.067146 Si\n0.500000 0.482389 0.982389 O\n0.000000 0.982389 0.982389 O\n0.410833 0.313592 0.462961 O\n0.589167 0.052127 0.902759 O\n0.649369 0.552127 0.462961 O\n0.350631 0.813592 0.902759 O\n0.790577 0.683788 0.089831 O\n0.209423 0.299255 0.893211 O\n0.906043 0.799255 0.089831 O\n0.093957 0.183788 0.893211 O\n",
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}