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{
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"structure_string": "K12 Ga4 S12\n1.0\n12.742682 0.000000 0.000000\n0.000000 7.834119 0.000000\n0.000000 6.238700 8.083836\nK Ga S\n12 4 12\ndirect\n0.910591 0.341483 0.392549 K\n0.410591 0.658517 0.107451 K\n0.089409 0.658517 0.607451 K\n0.589409 0.341483 0.892549 K\n0.188997 0.137927 0.577243 K\n0.688997 0.862073 0.922757 K\n0.811003 0.862073 0.422757 K\n0.311003 0.137927 0.077243 K\n0.626732 0.381697 0.473540 K\n0.126732 0.618303 0.026460 K\n0.373268 0.618303 0.526460 K\n0.873268 0.381697 0.973540 K\n0.939943 0.065670 0.836078 Ga\n0.439943 0.934330 0.663922 Ga\n0.060057 0.934330 0.163922 Ga\n0.560057 0.065670 0.336078 Ga\n0.393850 0.155496 0.378379 S\n0.893850 0.844504 0.121621 S\n0.606150 0.844504 0.621621 S\n0.106150 0.155496 0.878379 S\n0.675497 0.345366 0.189528 S\n0.175497 0.654634 0.310472 S\n0.324503 0.654634 0.810472 S\n0.824503 0.345366 0.689528 S\n0.545348 0.874234 0.237353 S\n0.045348 0.125766 0.262647 S\n0.454652 0.125766 0.762647 S\n0.954652 0.874234 0.737353 S\n",
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{
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{
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"structure_string": "C8 S4 N12 Cl12\n1.0\n7.765921 0.000000 0.000000\n0.000000 8.326056 0.000000\n0.000000 1.264525 12.512182\nC S N Cl\n8 4 12 12\ndirect\n0.025341 0.351251 0.159997 C\n0.769347 0.398471 0.239448 C\n0.474659 0.851251 0.159997 C\n0.730653 0.898471 0.239448 C\n0.230653 0.601529 0.760552 C\n0.974659 0.648749 0.840003 C\n0.525341 0.148749 0.840003 C\n0.269347 0.101529 0.760552 C\n0.037122 0.458339 0.339521 S\n0.462878 0.958339 0.339521 S\n0.537122 0.041661 0.660479 S\n0.962878 0.541661 0.660479 S\n0.372232 0.913610 0.229990 N\n0.830566 0.468552 0.321966 N\n0.354073 0.166622 0.838296 N\n0.645927 0.833378 0.161704 N\n0.330566 0.031448 0.678034 N\n0.169434 0.531448 0.678034 N\n0.145927 0.666622 0.838296 N\n0.669434 0.968552 0.321966 N\n0.854073 0.333378 0.161704 N\n0.127768 0.413610 0.229990 N\n0.872232 0.586390 0.770010 N\n0.627768 0.086390 0.770010 N\n0.451675 0.602411 0.771150 Cl\n0.068537 0.236973 0.445113 Cl\n0.048325 0.102411 0.771150 Cl\n0.548325 0.397589 0.228850 Cl\n0.628048 0.209724 0.950191 Cl\n0.931463 0.763027 0.554887 Cl\n0.431463 0.736973 0.445113 Cl\n0.371952 0.790276 0.049809 Cl\n0.128048 0.290276 0.049809 Cl\n0.871952 0.709724 0.950191 Cl\n0.951675 0.897589 0.228850 Cl\n0.568537 0.263027 0.554887 Cl\n",
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{
"id": "mp-28428",
"created_at": "2022-09-04T14:48:09.500463Z",
"structure_string": "K12 Nb8 Se44\n1.0\n9.295741 0.000000 0.000000\n0.000000 8.122495 0.000000\n0.000000 4.511284 26.062040\nK Nb Se\n12 8 44\ndirect\n0.732753 0.741508 0.172366 K\n0.232753 0.258492 0.327634 K\n0.267247 0.258492 0.827634 K\n0.767247 0.741508 0.672366 K\n0.761567 0.201125 0.014840 K\n0.261567 0.798875 0.485160 K\n0.238433 0.798875 0.985160 K\n0.738433 0.201125 0.514840 K\n0.701366 0.246909 0.315772 K\n0.201366 0.753091 0.184228 K\n0.298634 0.753091 0.684228 K\n0.798634 0.246909 0.815772 K\n0.173121 0.214354 0.079008 Nb\n0.673121 0.785646 0.420992 Nb\n0.826879 0.785646 0.920992 Nb\n0.326879 0.214354 0.579008 Nb\n0.458218 0.327274 0.169240 Nb\n0.958218 0.672726 0.330760 Nb\n0.541782 0.672726 0.830760 Nb\n0.041782 0.327274 0.669240 Nb\n0.461417 0.493392 0.236143 Se\n0.961417 0.506608 0.263857 Se\n0.538583 0.506608 0.763857 Se\n0.038583 0.493392 0.736143 Se\n0.602774 0.484126 0.092296 Se\n0.102774 0.515874 0.407704 Se\n0.397226 0.515874 0.907703 Se\n0.897226 0.484126 0.592297 Se\n0.011245 0.981268 0.087156 Se\n0.511245 0.018732 0.412844 Se\n0.988755 0.018732 0.912844 Se\n0.488755 0.981268 0.587156 Se\n0.691326 0.143330 0.192635 Se\n0.191326 0.856670 0.307365 Se\n0.308674 0.856670 0.807365 Se\n0.808674 0.143330 0.692635 Se\n0.466701 0.023278 0.224258 Se\n0.966701 0.976722 0.275742 Se\n0.533299 0.976722 0.775742 Se\n0.033299 0.023278 0.724258 Se\n0.034267 0.434959 0.121865 Se\n0.534267 0.565041 0.378135 Se\n0.965733 0.565041 0.878135 Se\n0.465733 0.434959 0.621865 Se\n0.376727 0.167481 0.015354 Se\n0.876727 0.832519 0.484646 Se\n0.623273 0.832519 0.984646 Se\n0.123273 0.167481 0.515354 Se\n0.091664 0.401223 0.991629 Se\n0.591664 0.598777 0.508371 Se\n0.908336 0.598777 0.008371 Se\n0.408336 0.401223 0.491629 Se\n0.345775 0.519734 0.091143 Se\n0.845775 0.480266 0.408857 Se\n0.654225 0.480266 0.908857 Se\n0.154225 0.519734 0.591143 Se\n0.176536 0.237864 0.178980 Se\n0.676536 0.762136 0.321020 Se\n0.823464 0.762136 0.821020 Se\n0.323464 0.237864 0.678980 Se\n0.417781 0.060854 0.104899 Se\n0.917781 0.939146 0.395101 Se\n0.582219 0.939146 0.895101 Se\n0.082219 0.060854 0.604899 Se\n",
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{
"id": "mp-1186435",
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"structure_string": "Pm2 Al1 Ga1\n1.0\n0.000000 3.692397 3.692397\n3.692397 0.000000 3.692397\n3.692397 3.692397 0.000000\nPm Al Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "Sr2 Ag1 Pt1\n1.0\n0.000000 3.801523 3.801523\n3.801523 0.000000 3.801523\n3.801523 3.801523 0.000000\nSr Ag Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Ti4 Al2 O8\n1.0\n-2.718048 2.718048 5.214061\n2.718048 -2.718048 5.214061\n2.718048 2.718048 -5.214061\nTi Al O\n4 2 8\ndirect\n0.875000 0.125000 0.750000 Ti\n0.375000 0.125000 0.250000 Ti\n0.875000 0.625000 0.750000 Ti\n0.875000 0.125000 0.250000 Ti\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.499539 0.912260 0.966949 O\n0.945311 0.532590 0.033051 O\n0.250461 0.337740 0.533051 O\n0.804689 0.717410 0.466949 O\n0.662260 0.195311 0.912721 O\n0.282590 0.749539 0.087279 O\n0.467410 0.500461 0.412721 O\n0.087740 0.054689 0.587279 O\n",
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{
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"structure_string": "Ce16 Se32\n1.0\n8.658823 -10.575628 0.000000\n8.658823 10.575628 0.000000\n0.000000 0.000000 23.503536\nCe Se\n16 32\ndirect\n0.187951 0.587052 0.319120 Ce\n0.587052 0.187951 0.680880 Ce\n0.812049 0.412948 0.319120 Ce\n0.412948 0.812049 0.680880 Ce\n0.312028 0.909610 0.183809 Ce\n0.909610 0.312028 0.816191 Ce\n0.687972 0.090390 0.183809 Ce\n0.090390 0.687972 0.816191 Ce\n0.338439 0.661561 0.500000 Ce\n0.661561 0.338439 0.500000 Ce\n0.500000 0.500000 0.365708 Ce\n0.500000 0.500000 0.634292 Ce\n0.000000 0.000000 0.139716 Ce\n0.000000 0.000000 0.860284 Ce\n0.160281 0.839719 0.000000 Ce\n0.839719 0.160281 0.000000 Ce\n0.000000 0.500000 0.285201 Se\n0.500000 0.000000 0.714799 Se\n0.253203 0.747582 0.251337 Se\n0.747582 0.253203 0.748663 Se\n0.746797 0.252418 0.251337 Se\n0.252418 0.746797 0.748663 Se\n0.177420 0.641413 0.429662 Se\n0.641413 0.177420 0.570338 Se\n0.822580 0.358587 0.429662 Se\n0.358587 0.822580 0.570338 Se\n0.323874 0.467917 0.307529 Se\n0.467917 0.323874 0.692471 Se\n0.676126 0.532083 0.307529 Se\n0.532083 0.676126 0.692471 Se\n0.318858 0.858563 0.071992 Se\n0.858563 0.318858 0.928008 Se\n0.681142 0.141437 0.071992 Se\n0.141437 0.681142 0.928008 Se\n0.174513 0.026060 0.199195 Se\n0.026060 0.174513 0.800805 Se\n0.825487 0.973940 0.199195 Se\n0.973940 0.825487 0.800805 Se\n0.497152 0.663529 0.430328 Se\n0.663529 0.497152 0.569672 Se\n0.502848 0.336471 0.430328 Se\n0.336471 0.502848 0.569672 Se\n0.500000 0.000000 0.216946 Se\n0.000000 0.500000 0.783054 Se\n0.993226 0.161929 0.073801 Se\n0.161929 0.993226 0.926199 Se\n0.006774 0.838071 0.073801 Se\n0.838071 0.006774 0.926199 Se\n",
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{
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"structure_string": "Ba8 Dy4 Bi4 O24\n1.0\n8.705343 0.000000 0.000000\n0.000000 8.705343 0.000000\n0.000000 0.000000 8.705343\nBa Dy Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.000000 -0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Dy\n0.250000 0.750000 0.750000 Dy\n0.750000 0.250000 0.750000 Dy\n0.750000 0.750000 0.250000 Dy\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.233060 0.269221 0.505881 O\n0.233060 0.730779 0.494119 O\n0.766940 0.269221 0.494119 O\n0.766940 0.730779 0.505881 O\n0.269221 0.505881 0.233060 O\n0.730779 0.494119 0.233060 O\n0.269221 0.494119 0.766940 O\n0.730779 0.505881 0.766940 O\n0.505881 0.233060 0.269221 O\n0.494119 0.233060 0.730779 O\n0.494119 0.766940 0.269221 O\n0.505881 0.766940 0.730779 O\n0.266940 0.230779 0.994119 O\n0.266940 0.769221 0.005881 O\n0.733060 0.230779 0.005881 O\n0.733060 0.769221 0.994119 O\n0.230779 0.994119 0.266940 O\n0.769221 0.005881 0.266940 O\n0.230779 0.005881 0.733060 O\n0.769221 0.994119 0.733060 O\n0.994119 0.266940 0.230779 O\n0.005881 0.266940 0.769221 O\n0.005881 0.733060 0.230779 O\n0.994119 0.733060 0.769221 O\n",
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