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{
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{
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{
"id": "mp-1517265",
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"structure_string": "Ba1 Li1 Zr1 Bi1 O6\n1.0\n0.000000 -4.215784 -4.215784\n4.215784 0.000000 -4.215784\n4.215784 -4.215784 0.000000\nBa Li Zr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Bi\n0.748914 0.251086 0.251086 O\n0.251086 0.748914 0.748914 O\n0.748914 0.251086 0.748914 O\n0.251086 0.748914 0.251086 O\n0.748914 0.748914 0.251086 O\n0.251086 0.251086 0.748914 O\n",
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"formula_full": "Ba1 Li1 Zr1 Bi1 O6",
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"spacegroup": 216
},
{
"id": "mp-1032036",
"created_at": "2022-09-04T14:44:10.502511Z",
"structure_string": "Mg6 Zn1 Sn1 O8\n1.0\n8.869490 -0.000000 0.000000\n0.000000 4.439153 0.000000\n0.000000 0.000000 4.439153\nMg Zn Sn O\n6 1 1 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.262996 0.000000 0.500000 Mg\n0.737004 -0.000000 0.500000 Mg\n0.262996 0.500000 0.000000 Mg\n0.737004 0.500000 -0.000000 Mg\n0.000000 0.000000 -0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n0.260133 0.000000 -0.000000 O\n0.739867 -0.000000 0.000000 O\n0.271787 0.500000 0.500000 O\n0.728213 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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"spacegroup": 123
},
{
"id": "mp-752976",
"created_at": "2022-09-04T14:45:53.319409Z",
"structure_string": "Mn8 O2 F12\n1.0\n-0.000004 -0.000004 5.243378\n7.282365 -0.004430 -0.000006\n-0.004430 7.282347 -0.000006\nMn O F\n8 2 12\ndirect\n0.054043 0.250116 0.499954 Mn\n0.554008 0.499957 0.250117 Mn\n0.945973 0.750118 0.999942 Mn\n0.445968 0.999942 0.750123 Mn\n0.554030 0.000058 0.249878 Mn\n0.054042 0.249867 0.000063 Mn\n0.445961 0.500056 0.749871 Mn\n0.945964 0.749879 0.500067 Mn\n0.250005 0.249998 0.750002 O\n0.750001 0.750007 0.249997 O\n0.832457 0.249997 0.250001 F\n0.332455 0.250002 0.249992 F\n0.167543 0.749997 0.749997 F\n0.667548 0.750002 0.749997 F\n0.749996 0.040458 0.959549 F\n0.750000 0.039928 0.539929 F\n0.750004 0.459552 0.540460 F\n0.750005 0.460061 0.960060 F\n0.250000 0.539928 0.039929 F\n0.249997 0.540465 0.459550 F\n0.250001 0.959553 0.040461 F\n0.249999 0.960059 0.460061 F\n",
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{
"id": "mp-560176",
"created_at": "2022-09-04T14:44:03.366812Z",
"structure_string": "K4 Na2 Al6 F24\n1.0\n7.085746 0.000000 0.000000\n0.000000 7.047901 0.000000\n0.000000 0.029734 9.810262\nK Na Al F\n4 2 6 24\ndirect\n0.250000 0.535432 0.358341 K\n0.250000 0.985610 0.105404 K\n0.750000 0.464568 0.641659 K\n0.750000 0.014390 0.894596 K\n0.750000 0.790960 0.240815 Na\n0.250000 0.209040 0.759185 Na\n0.000000 0.500000 0.000000 Al\n0.250000 0.692161 0.718836 Al\n0.750000 0.307839 0.281164 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.438071 0.787781 0.605438 F\n0.040138 0.866244 0.349093 F\n0.456529 0.262044 0.949161 F\n0.959862 0.133756 0.650907 F\n0.938071 0.212219 0.394562 F\n0.250000 0.526148 0.058137 F\n0.439646 0.581775 0.825733 F\n0.250000 0.079397 0.501723 F\n0.956529 0.737956 0.050839 F\n0.250000 0.480201 0.621044 F\n0.043471 0.262044 0.949161 F\n0.560354 0.418225 0.174267 F\n0.939646 0.418225 0.174267 F\n0.750000 0.473852 0.941863 F\n0.061929 0.787781 0.605438 F\n0.250000 0.895875 0.821765 F\n0.750000 0.104125 0.178235 F\n0.459862 0.866244 0.349093 F\n0.750000 0.519799 0.378956 F\n0.540138 0.133756 0.650907 F\n0.561929 0.212219 0.394562 F\n0.060354 0.581775 0.825733 F\n0.750000 0.920603 0.498277 F\n0.543471 0.737956 0.050839 F\n",
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"formula_full": "K4 Na2 Al6 F24",
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"spacegroup": 11
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{
"id": "mp-774823",
"created_at": "2022-09-04T14:43:37.753343Z",
"structure_string": "Ti4 Mn4 P8 O32\n1.0\n0.030866 -0.000021 5.017476\n10.105883 6.047255 0.067929\n-10.106161 6.047719 -0.067974\nTi Mn P O\n4 4 8 32\ndirect\n0.469577 0.485399 0.264564 Ti\n0.469580 0.985404 0.764574 Ti\n0.530420 0.514600 0.735433 Ti\n0.530423 0.014594 0.235426 Ti\n0.968611 0.761072 0.488934 Mn\n0.031325 0.238932 0.511065 Mn\n0.968735 0.261101 0.988957 Mn\n0.031347 0.738911 0.011068 Mn\n0.446624 0.172499 0.077416 P\n0.446574 0.672500 0.577425 P\n0.553412 0.827500 0.922579 P\n0.553401 0.327498 0.422576 P\n0.889070 0.571677 0.178362 P\n0.889073 0.071682 0.678378 P\n0.110927 0.428325 0.821630 P\n0.110914 0.928317 0.321629 P\n0.642208 0.401524 0.348519 O\n0.642223 0.901527 0.848526 O\n0.357775 0.598473 0.651481 O\n0.357823 0.098474 0.151472 O\n0.745807 0.176037 0.073852 O\n0.745764 0.676027 0.573871 O\n0.254226 0.823977 0.926132 O\n0.254214 0.323969 0.426131 O\n0.185625 0.548709 0.201242 O\n0.185630 0.048719 0.701260 O\n0.814366 0.451286 0.798754 O\n0.814352 0.951277 0.298747 O\n0.135906 0.354331 0.895555 O\n0.135869 0.854314 0.395549 O\n0.864116 0.645674 0.104437 O\n0.864123 0.145684 0.604455 O\n0.310868 0.106928 0.939702 O\n0.310844 0.606925 0.439700 O\n0.310909 0.310234 0.142994 O\n0.310878 0.810234 0.643000 O\n0.689106 0.689762 0.857006 O\n0.689102 0.189763 0.357004 O\n0.689147 0.893068 0.060303 O\n0.689137 0.393070 0.560297 O\n0.735316 0.633369 0.310714 O\n0.735320 0.133378 0.810729 O\n0.735342 0.439301 0.116649 O\n0.735346 0.939304 0.616663 O\n0.264675 0.366631 0.689277 O\n0.264674 0.866623 0.189277 O\n0.264661 0.560702 0.883345 O\n0.264632 0.060695 0.383339 O\n",
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{
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"created_at": "2022-09-04T14:47:08.267106Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n-4.781346 -1.976753 0.000000\n0.000000 0.000000 6.358933\n-4.781450 5.930511 0.000000\nLi Mn O F\n8 4 8 4\ndirect\n0.998360 0.250000 0.666118 Li\n0.498359 0.250000 0.166119 Li\n0.001639 0.750000 0.333882 Li\n0.501641 0.750000 0.833880 Li\n0.061264 0.750000 0.687081 Li\n0.561267 0.750000 0.187081 Li\n0.938736 0.250000 0.312919 Li\n0.438732 0.250000 0.812919 Li\n0.500000 0.000000 0.500001 Mn\n0.499999 0.500000 0.500000 Mn\n0.000002 0.000000 0.000000 Mn\n0.000002 0.500000 0.000001 Mn\n0.322737 0.750000 0.440911 O\n0.822750 0.750000 0.940915 O\n0.677263 0.250000 0.559089 O\n0.177250 0.250000 0.059085 O\n0.750003 0.500000 0.249996 O\n0.249997 0.500000 0.750003 O\n0.750003 0.000000 0.249996 O\n0.249997 0.000000 0.750003 O\n0.243743 0.250000 0.414562 F\n0.743760 0.250000 0.914567 F\n0.756256 0.750000 0.585438 F\n0.256240 0.750000 0.085433 F\n",
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{
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"structure_string": "Li2 Bi2 P8 O24\n1.0\n5.946563 4.042059 0.000000\n-5.946563 4.042059 0.000000\n0.000000 1.137896 10.315522\nLi Bi P O\n2 2 8 24\ndirect\n0.328968 0.671032 0.750000 Li\n0.671032 0.328968 0.250000 Li\n0.619021 0.380979 0.750000 Bi\n0.380979 0.619021 0.250000 Bi\n0.157997 0.786356 0.005982 P\n0.786356 0.157997 0.505982 P\n0.736881 0.787161 0.943805 P\n0.212839 0.263119 0.556195 P\n0.787161 0.736881 0.443805 P\n0.263119 0.212839 0.056195 P\n0.213644 0.842003 0.494018 P\n0.842003 0.213644 0.994018 P\n0.307514 0.806181 0.895819 O\n0.615804 0.107160 0.611400 O\n0.657991 0.687241 0.823402 O\n0.806181 0.307514 0.395819 O\n0.378249 0.300104 0.927185 O\n0.107160 0.615804 0.111400 O\n0.196090 0.036062 0.554120 O\n0.765066 0.016120 0.912490 O\n0.983880 0.234934 0.587510 O\n0.963938 0.803910 0.945880 O\n0.687241 0.657991 0.323402 O\n0.699896 0.621751 0.572815 O\n0.300104 0.378249 0.427185 O\n0.312759 0.342009 0.676598 O\n0.036062 0.196090 0.054120 O\n0.016120 0.765066 0.412490 O\n0.234934 0.983880 0.087510 O\n0.803910 0.963938 0.445880 O\n0.892840 0.384196 0.888600 O\n0.621751 0.699896 0.072815 O\n0.193819 0.692486 0.604181 O\n0.342009 0.312759 0.176598 O\n0.384196 0.892840 0.388600 O\n0.692486 0.193819 0.104181 O\n",
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