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{
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{
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"structure_string": "Ba2 Lu4 Si6 O20\n1.0\n5.399138 0.000000 0.000000\n0.000000 12.206059 0.000000\n-1.911553 0.000000 6.539632\nBa Lu Si O\n2 4 6 20\ndirect\n0.761675 0.750000 0.017415 Ba\n0.238325 0.250000 0.982585 Ba\n0.156724 0.900048 0.680133 Lu\n0.843276 0.400048 0.319867 Lu\n0.843276 0.099952 0.319867 Lu\n0.156724 0.599952 0.680133 Lu\n0.580389 0.750000 0.485816 Si\n0.419611 0.250000 0.514184 Si\n0.303309 0.940172 0.210174 Si\n0.696691 0.440172 0.789826 Si\n0.696691 0.059828 0.789826 Si\n0.303309 0.559828 0.210174 Si\n0.364004 0.750000 0.611469 O\n0.635996 0.250000 0.388531 O\n0.877720 0.750000 0.629479 O\n0.122280 0.250000 0.370521 O\n0.545878 0.856659 0.332274 O\n0.454122 0.356659 0.667726 O\n0.454122 0.143341 0.667726 O\n0.545878 0.643341 0.332274 O\n0.444664 0.055373 0.195147 O\n0.555336 0.555373 0.804853 O\n0.555336 0.944627 0.804853 O\n0.444664 0.444627 0.195147 O\n0.159995 0.879696 0.995416 O\n0.840005 0.379696 0.004584 O\n0.840005 0.120304 0.004584 O\n0.159995 0.620304 0.995416 O\n0.098996 0.951435 0.351499 O\n0.901004 0.451435 0.648501 O\n0.901004 0.048565 0.648501 O\n0.098996 0.548565 0.351499 O\n",
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{
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"structure_string": "Fe2 P8 O24\n1.0\n6.589514 4.807252 0.000000\n-6.589514 4.807252 0.000000\n0.000000 1.742884 7.740399\nFe P O\n2 8 24\ndirect\n0.866680 0.133320 0.750000 Fe\n0.133320 0.866680 0.250000 Fe\n0.571840 0.257371 0.619812 P\n0.742629 0.428160 0.880188 P\n0.044067 0.209660 0.325734 P\n0.257371 0.571840 0.119812 P\n0.428160 0.742629 0.380188 P\n0.955933 0.790340 0.674266 P\n0.790340 0.955933 0.174266 P\n0.209660 0.044067 0.825734 P\n0.662918 0.382606 0.063003 O\n0.868815 0.131185 0.250000 O\n0.131185 0.868815 0.750000 O\n0.116397 0.655548 0.184178 O\n0.007990 0.269999 0.491920 O\n0.154889 0.365057 0.173355 O\n0.344452 0.883603 0.315822 O\n0.075542 0.141671 0.831254 O\n0.141671 0.075542 0.331254 O\n0.395408 0.604592 0.250000 O\n0.337082 0.617394 0.936997 O\n0.382606 0.662918 0.563003 O\n0.269999 0.007990 0.991920 O\n0.634943 0.845111 0.326645 O\n0.365057 0.154889 0.673355 O\n0.992010 0.730001 0.508080 O\n0.617394 0.337082 0.436997 O\n0.730001 0.992010 0.008080 O\n0.604592 0.395408 0.750000 O\n0.858329 0.924458 0.668746 O\n0.924458 0.858329 0.168746 O\n0.655548 0.116397 0.684178 O\n0.845111 0.634943 0.826645 O\n0.883603 0.344452 0.815822 O\n",
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"formula_full": "Fe2 P8 O24",
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{
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"created_at": "2022-09-04T14:44:11.547935Z",
"structure_string": "K12 Bi4 P8 S32\n1.0\n6.952835 0.000000 0.000000\n0.000000 9.264030 0.000000\n0.000000 0.000000 24.377861\nK Bi P S\n12 4 8 32\ndirect\n0.992430 0.755486 0.922298 K\n0.007570 0.255486 0.577702 K\n0.492763 0.480448 0.812807 K\n0.507237 0.980448 0.687193 K\n0.002950 0.088285 0.787968 K\n0.497050 0.911715 0.287968 K\n0.492430 0.744514 0.077702 K\n0.997050 0.588285 0.712032 K\n0.992763 0.019552 0.187193 K\n0.502950 0.411715 0.212032 K\n0.007237 0.519552 0.312807 K\n0.507570 0.244514 0.422298 K\n0.061765 0.350324 0.052638 Bi\n0.438235 0.649676 0.552638 Bi\n0.561765 0.149676 0.947362 Bi\n0.938235 0.850324 0.447362 Bi\n0.505379 0.389774 0.654570 P\n0.035460 0.854261 0.592134 P\n0.964540 0.354261 0.907866 P\n0.005379 0.110226 0.345430 P\n0.464540 0.145739 0.092134 P\n0.494621 0.889774 0.845430 P\n0.994621 0.610226 0.154570 P\n0.535460 0.645739 0.407866 P\n0.267396 0.941810 0.552367 S\n0.732295 0.811864 0.808368 S\n0.245258 0.207441 0.317297 S\n0.732604 0.441810 0.947633 S\n0.970046 0.387012 0.164477 S\n0.564955 0.869908 0.420089 S\n0.520256 0.590850 0.328511 S\n0.518580 0.861518 0.931444 S\n0.232604 0.058190 0.052367 S\n0.232295 0.688136 0.191632 S\n0.785857 0.918289 0.553134 S\n0.745258 0.292559 0.682703 S\n0.064955 0.630092 0.579911 S\n0.979744 0.409150 0.828511 S\n0.481420 0.361518 0.568556 S\n0.029954 0.887012 0.335523 S\n0.981420 0.138482 0.431444 S\n0.935045 0.130092 0.920089 S\n0.214143 0.418289 0.946866 S\n0.470046 0.112988 0.835523 S\n0.435045 0.369908 0.079911 S\n0.254742 0.792559 0.817297 S\n0.020256 0.909150 0.671489 S\n0.714143 0.081711 0.053134 S\n0.267705 0.311864 0.691632 S\n0.754742 0.707441 0.182703 S\n0.767705 0.188136 0.308368 S\n0.529954 0.612988 0.664477 S\n0.285857 0.581711 0.446866 S\n0.018580 0.638482 0.068556 S\n0.479744 0.090850 0.171489 S\n0.767396 0.558190 0.447633 S\n",
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{
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{
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"created_at": "2022-09-04T14:44:03.584144Z",
"structure_string": "Zn4 Ni4 O8\n1.0\n2.887585 0.000000 0.000000\n1.417783 8.176237 0.000000\n1.427998 0.928546 8.321438\nZn Ni O\n4 4 8\ndirect\n0.843135 0.231838 0.571422 Zn\n0.156865 0.768162 0.428578 Zn\n0.578523 0.127706 0.213489 Zn\n0.421477 0.872294 0.786511 Zn\n0.129518 0.553171 0.691568 Ni\n0.710784 0.191769 0.882942 Ni\n0.289216 0.808231 0.117058 Ni\n0.870482 0.446829 0.308432 Ni\n0.318751 0.594288 0.267524 O\n0.868050 0.816598 0.948190 O\n0.131950 0.183402 0.051810 O\n0.681249 0.405712 0.732476 O\n0.586270 0.717610 0.616725 O\n0.331853 0.109477 0.716625 O\n0.413730 0.282390 0.383275 O\n0.668147 0.890523 0.283375 O\n",
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"formula_full": "Zn4 Ni4 O8",
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"spacegroup": 2
},
{
"id": "mp-1178555",
"created_at": "2022-09-04T14:44:11.183986Z",
"structure_string": "Ba4 Sr2 I12\n1.0\n4.029175 13.225401 0.000000\n-4.029175 13.225401 0.000000\n0.000000 1.768180 8.929227\nBa Sr I\n4 2 12\ndirect\n0.057840 0.611062 0.641339 Ba\n0.611062 0.057840 0.141339 Ba\n0.388938 0.942160 0.858661 Ba\n0.942160 0.388938 0.358661 Ba\n0.665766 0.334234 0.750000 Sr\n0.334234 0.665766 0.250000 Sr\n0.459683 0.385288 0.521233 I\n0.385288 0.459683 0.021233 I\n0.875929 0.945024 0.826224 I\n0.945024 0.875929 0.326224 I\n0.286013 0.262342 0.906874 I\n0.262342 0.286013 0.406874 I\n0.737658 0.713987 0.593126 I\n0.713987 0.737658 0.093126 I\n0.054976 0.124071 0.673776 I\n0.124071 0.054976 0.173776 I\n0.614712 0.540317 0.978767 I\n0.540317 0.614712 0.478767 I\n",
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]
}