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{
"id": "mp-1226578",
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"structure_string": "Cr19 S30\n1.0\n8.881197 0.000000 0.000000\n4.043911 9.565487 0.000000\n3.216613 0.510522 10.191677\nCr S\n19 30\ndirect\n0.285155 0.265719 0.315483 Cr\n0.702142 0.065581 0.697444 Cr\n0.879956 0.470821 0.912514 Cr\n0.475147 0.672272 0.509841 Cr\n0.080768 0.875093 0.114113 Cr\n0.297858 0.934419 0.302556 Cr\n0.714845 0.734281 0.684517 Cr\n0.919232 0.124907 0.885887 Cr\n0.524853 0.327728 0.490159 Cr\n0.120044 0.529179 0.087486 Cr\n0.500000 0.000000 0.500000 Cr\n0.900750 0.803799 0.899995 Cr\n0.099250 0.196201 0.100005 Cr\n0.696842 0.400180 0.698158 Cr\n0.303158 0.599820 0.301842 Cr\n0.199309 0.400455 0.698805 Cr\n0.403399 0.798742 0.900191 Cr\n0.596601 0.201258 0.099809 Cr\n0.800691 0.599545 0.301195 Cr\n0.420413 0.492447 0.661651 S\n0.625140 0.891927 0.858969 S\n0.822300 0.290936 0.062314 S\n0.026910 0.689847 0.260393 S\n0.226044 0.091410 0.462580 S\n0.422215 0.172278 0.657324 S\n0.617526 0.571795 0.858520 S\n0.818416 0.972822 0.058887 S\n0.024093 0.370619 0.255369 S\n0.218040 0.769156 0.456233 S\n0.229724 0.431804 0.466714 S\n0.426044 0.833154 0.665587 S\n0.631868 0.229793 0.864649 S\n0.832137 0.632033 0.067230 S\n0.028101 0.035385 0.264218 S\n0.973090 0.310153 0.739607 S\n0.177700 0.709064 0.937686 S\n0.374860 0.108073 0.141031 S\n0.579587 0.507553 0.338349 S\n0.773956 0.908590 0.537420 S\n0.975907 0.629381 0.744631 S\n0.181584 0.027178 0.941113 S\n0.382474 0.428205 0.141480 S\n0.577785 0.827722 0.342676 S\n0.781960 0.230844 0.543767 S\n0.167863 0.367967 0.932770 S\n0.368132 0.770207 0.135351 S\n0.573956 0.166846 0.334413 S\n0.770276 0.568196 0.533286 S\n0.971899 0.964615 0.735782 S\n",
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{
"id": "mp-1222229",
"created_at": "2022-09-04T14:44:15.690483Z",
"structure_string": "Mg3 Si9 B36 C1\n1.0\n6.205248 -5.052623 0.000000\n6.205248 5.052623 0.000000\n2.091150 0.000000 7.724066\nMg Si B C\n3 9 36 1\ndirect\n0.499047 0.999726 0.499047 Mg\n0.999726 0.499047 0.499047 Mg\n0.499047 0.499047 0.999726 Mg\n0.572674 0.572674 0.572674 Si\n0.429015 0.429015 0.429015 Si\n0.738592 0.738592 0.343169 Si\n0.738592 0.343169 0.738592 Si\n0.343169 0.738592 0.738592 Si\n0.261677 0.261677 0.655334 Si\n0.261677 0.655334 0.261677 Si\n0.655334 0.261677 0.261677 Si\n0.955834 0.955834 0.955834 Si\n0.704048 0.994090 0.994090 B\n0.994090 0.994090 0.704048 B\n0.994090 0.704048 0.994090 B\n0.276037 0.017866 0.017866 B\n0.017866 0.017866 0.276037 B\n0.017866 0.276037 0.017866 B\n0.624544 0.980601 0.800269 B\n0.980601 0.800269 0.624544 B\n0.800269 0.624544 0.980601 B\n0.980601 0.624544 0.800269 B\n0.624544 0.800269 0.980601 B\n0.800269 0.980601 0.624544 B\n0.372824 0.022539 0.202909 B\n0.022539 0.202909 0.372824 B\n0.202909 0.372824 0.022539 B\n0.022539 0.372824 0.202909 B\n0.372824 0.202909 0.022539 B\n0.202909 0.022539 0.372824 B\n0.580648 0.178727 0.891950 B\n0.178727 0.891950 0.580648 B\n0.891950 0.580648 0.178727 B\n0.178727 0.580648 0.891950 B\n0.580648 0.891950 0.178727 B\n0.891950 0.178727 0.580648 B\n0.410986 0.825788 0.109300 B\n0.825788 0.109300 0.410986 B\n0.109300 0.410986 0.825788 B\n0.825788 0.410986 0.109300 B\n0.410986 0.109300 0.825788 B\n0.109300 0.825788 0.410986 B\n0.556367 0.125604 0.125604 B\n0.125604 0.125604 0.556367 B\n0.125604 0.556367 0.125604 B\n0.434746 0.878413 0.878413 B\n0.878413 0.878413 0.434746 B\n0.878413 0.434746 0.878413 B\n0.067756 0.067756 0.067756 C\n",
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"spacegroup": 160
},
{
"id": "mp-540725",
"created_at": "2022-09-04T14:44:19.429441Z",
"structure_string": "Cs1 Be4 Al4 B12 O28\n1.0\n7.418220 0.000000 0.000000\n0.000000 7.418220 0.000000\n0.000000 0.000000 7.418220\nCs Be Al B O\n1 4 4 12 28\ndirect\n0.000000 0.000000 0.000000 Cs\n0.739869 0.739869 0.739869 Be\n0.260131 0.739869 0.260131 Be\n0.260131 0.260131 0.739869 Be\n0.739869 0.260131 0.260131 Be\n0.360365 0.360365 0.360365 Al\n0.639635 0.360365 0.639635 Al\n0.639635 0.639635 0.360365 Al\n0.360365 0.639635 0.639635 Al\n0.249494 0.500000 0.000000 B\n0.750506 0.000000 0.500000 B\n0.000000 0.500000 0.249494 B\n0.000000 0.500000 0.750506 B\n0.500000 0.750506 0.000000 B\n0.500000 0.249494 0.000000 B\n0.000000 0.249494 0.500000 B\n0.500000 0.000000 0.249494 B\n0.000000 0.750506 0.500000 B\n0.500000 0.000000 0.750506 B\n0.750506 0.500000 0.000000 B\n0.249494 0.000000 0.500000 B\n0.618444 0.618444 0.618444 O\n0.381556 0.618444 0.381556 O\n0.381556 0.381556 0.618444 O\n0.618444 0.381556 0.381556 O\n0.362089 0.362089 0.095163 O\n0.637911 0.095163 0.637911 O\n0.637911 0.904837 0.362089 O\n0.904837 0.637911 0.362089 O\n0.095163 0.637911 0.637911 O\n0.362089 0.637911 0.904837 O\n0.637911 0.362089 0.904837 O\n0.095163 0.362089 0.362089 O\n0.362089 0.095163 0.362089 O\n0.904837 0.362089 0.637911 O\n0.362089 0.904837 0.637911 O\n0.637911 0.637911 0.095163 O\n0.137028 0.137028 0.596399 O\n0.862972 0.596399 0.862972 O\n0.862972 0.403601 0.137028 O\n0.403601 0.862972 0.137028 O\n0.596399 0.862972 0.862972 O\n0.137028 0.862972 0.403601 O\n0.862972 0.137028 0.403601 O\n0.596399 0.137028 0.137028 O\n0.137028 0.596399 0.137028 O\n0.403601 0.137028 0.862972 O\n0.137028 0.403601 0.862972 O\n0.862972 0.862972 0.596399 O\n",
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"formula_full": "Cs1 Be4 Al4 B12 O28",
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},
{
"id": "mp-1080221",
"created_at": "2022-09-04T14:43:20.463980Z",
"structure_string": "K1 Mn16 O32\n1.0\n0.000009 0.000002 -5.883754\n-0.029205 -9.893668 -0.000017\n-9.943548 0.001637 -0.000057\nK Mn O\n1 16 32\ndirect\n0.000016 0.499078 0.494523 K\n0.500001 0.167111 0.346596 Mn\n0.000006 0.165020 0.344791 Mn\n0.499989 0.349086 0.829481 Mn\n0.999991 0.347279 0.831359 Mn\n0.000000 0.651920 0.161149 Mn\n0.500002 0.650012 0.163105 Mn\n0.000003 0.833860 0.647950 Mn\n0.500005 0.831948 0.646188 Mn\n0.749865 0.667804 0.846084 Mn\n0.250139 0.667798 0.846080 Mn\n0.749787 0.848207 0.329154 Mn\n0.250216 0.848204 0.329151 Mn\n0.749825 0.150727 0.663686 Mn\n0.250172 0.150728 0.663685 Mn\n0.749875 0.331287 0.146586 Mn\n0.250120 0.331288 0.146581 Mn\n0.749479 0.956982 0.658429 O\n0.250527 0.956980 0.658430 O\n0.749385 0.664985 0.038958 O\n0.250618 0.664985 0.038958 O\n0.749417 0.334283 0.953684 O\n0.250558 0.334279 0.953683 O\n0.749400 0.041892 0.334511 O\n0.250610 0.041892 0.334509 O\n0.000000 0.456563 0.161525 O\n0.499996 0.455923 0.159704 O\n0.000007 0.168206 0.539183 O\n0.500000 0.166508 0.539816 O\n0.500001 0.832323 0.453034 O\n0.000001 0.830597 0.453609 O\n0.499999 0.543201 0.832921 O\n0.999997 0.542605 0.831427 O\n0.500002 0.797368 0.839499 O\n0.000001 0.797553 0.840685 O\n0.000002 0.845070 0.199988 O\n0.500002 0.843736 0.200125 O\n0.999999 0.201478 0.152002 O\n0.500003 0.201691 0.153243 O\n0.499999 0.155325 0.792678 O\n0.999992 0.154064 0.792818 O\n0.751916 0.297552 0.341124 O\n0.248090 0.297552 0.341120 O\n0.751831 0.346027 0.699701 O\n0.248148 0.346023 0.699703 O\n0.751861 0.701406 0.651591 O\n0.248147 0.701407 0.651592 O\n0.751816 0.652923 0.292848 O\n0.248185 0.652923 0.292849 O\n",
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{
"id": "mp-1228057",
"created_at": "2022-09-04T14:43:21.260420Z",
"structure_string": "Ba1 Na4 Ti2 Si10 B2 O30\n1.0\n7.302542 0.000000 0.000000\n-0.245013 9.873942 0.000000\n-0.280437 -4.908260 8.571210\nBa Na Ti Si B O\n1 4 2 10 2 30\ndirect\n0.000000 0.000000 0.000000 Ba\n0.505871 0.276680 0.722071 Na\n0.494129 0.723320 0.277929 Na\n0.502117 0.698303 0.697343 Na\n0.497883 0.301697 0.302657 Na\n0.504307 0.915683 0.085821 Ti\n0.495693 0.084317 0.914179 Ti\n0.808337 0.620972 0.924997 Si\n0.809886 0.936537 0.628362 Si\n0.191663 0.379028 0.075003 Si\n0.190114 0.063463 0.371638 Si\n0.233571 0.588967 0.924253 Si\n0.233662 0.910541 0.582328 Si\n0.766429 0.411033 0.075747 Si\n0.766338 0.089459 0.417672 Si\n0.801713 0.588044 0.426879 Si\n0.198287 0.411956 0.573121 Si\n0.788602 0.422149 0.594585 B\n0.211398 0.577851 0.405415 B\n0.781457 0.566855 0.056440 O\n0.782720 0.063853 0.570756 O\n0.218543 0.433145 0.943560 O\n0.217280 0.936147 0.429244 O\n0.983688 0.413471 0.588732 O\n0.016312 0.586529 0.411268 O\n0.731527 0.476855 0.756152 O\n0.730137 0.765230 0.484334 O\n0.268473 0.523145 0.243848 O\n0.269863 0.234770 0.515666 O\n0.031617 0.663086 0.929935 O\n0.031751 0.928425 0.661842 O\n0.968383 0.336914 0.070065 O\n0.968249 0.071575 0.338158 O\n0.695821 0.267165 0.487165 O\n0.694590 0.477562 0.254845 O\n0.304179 0.732835 0.512835 O\n0.305410 0.522438 0.745155 O\n0.722120 0.533673 0.545193 O\n0.277880 0.466327 0.454807 O\n0.375639 0.907457 0.907944 O\n0.624361 0.092543 0.092056 O\n0.713098 0.783968 0.970213 O\n0.714527 0.973340 0.787395 O\n0.286902 0.216032 0.029787 O\n0.285473 0.026660 0.212605 O\n0.379600 0.716182 0.048672 O\n0.377870 0.038867 0.711428 O\n0.620400 0.283818 0.951328 O\n0.622130 0.961133 0.288572 O\n",
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"formula_full": "Ba1 Na4 Ti2 Si10 B2 O30",
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{
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"structure_string": "Al4 Cu13 Si2 Sb2 O28\n1.0\n11.494639 2.738013 0.000000\n-11.494639 2.738013 0.000000\n0.000000 1.506225 8.420227\nAl Cu Si Sb O\n4 13 2 2 28\ndirect\n0.499434 0.930970 0.332085 Al\n0.069030 0.500566 0.667915 Al\n0.500566 0.069030 0.667915 Al\n0.930970 0.499434 0.332085 Al\n0.364915 0.080015 0.360365 Cu\n0.200379 0.342039 0.645040 Cu\n0.919985 0.635085 0.639635 Cu\n0.635085 0.919985 0.639635 Cu\n0.799621 0.657961 0.354960 Cu\n0.289392 0.710608 0.000000 Cu\n0.657961 0.799621 0.354960 Cu\n0.000000 0.000000 0.000000 Cu\n0.426102 0.573898 0.000000 Cu\n0.342039 0.200379 0.645040 Cu\n0.080015 0.364915 0.360365 Cu\n0.573898 0.426102 0.000000 Cu\n0.710608 0.289392 0.000000 Cu\n0.772021 0.772021 0.685648 Si\n0.227979 0.227979 0.314352 Si\n0.858404 0.141596 0.000000 Sb\n0.141596 0.858404 0.000000 Sb\n0.027107 0.327867 0.596037 O\n0.383898 0.835752 0.633599 O\n0.075118 0.075118 0.648521 O\n0.695678 0.695678 0.883497 O\n0.616102 0.164248 0.366401 O\n0.972893 0.672133 0.403963 O\n0.414397 0.006232 0.881966 O\n0.585603 0.993768 0.118034 O\n0.304322 0.304322 0.116503 O\n0.721162 0.873688 0.119431 O\n0.599612 0.720789 0.613585 O\n0.672133 0.972893 0.403963 O\n0.993768 0.585603 0.118034 O\n0.126312 0.278838 0.880569 O\n0.279211 0.400388 0.386415 O\n0.924882 0.924882 0.351479 O\n0.873688 0.721162 0.119431 O\n0.278838 0.126312 0.880569 O\n0.006232 0.414397 0.881966 O\n0.582847 0.867378 0.870656 O\n0.417153 0.132622 0.129344 O\n0.720789 0.599612 0.613585 O\n0.867378 0.582847 0.870656 O\n0.835752 0.383898 0.633599 O\n0.400388 0.279211 0.386415 O\n0.132622 0.417153 0.129344 O\n0.327867 0.027107 0.596037 O\n0.164248 0.616102 0.366401 O\n",
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{
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