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{
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{
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{
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"structure_string": "Sr3 Fe2 Cu2 S2 O5\n1.0\n-1.982603 1.982603 13.329171\n1.982603 -1.982603 13.329171\n1.982603 1.982603 -13.329171\nSr Fe Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.642316 0.642316 0.000000 Sr\n0.357684 0.357684 0.000000 Sr\n0.072286 0.072286 0.000000 Fe\n0.927714 0.927714 0.000000 Fe\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.197831 0.197831 0.000000 S\n0.802169 0.802169 0.000000 S\n0.582760 0.082760 0.500000 O\n0.082760 0.582760 0.500000 O\n0.417240 0.917240 0.500000 O\n0.917240 0.417240 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Sr3 Fe2 Cu2 S2 O5",
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{
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"structure_string": "Er3 Al9 Ni6\n1.0\n4.481680 -7.762498 0.000000\n4.481680 7.762498 0.000000\n0.000000 0.000000 4.073446\nEr Al Ni\n3 9 6\ndirect\n0.666667 0.333333 0.000000 Er\n0.333333 0.666667 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.297494 0.000000 0.000000 Al\n0.297494 0.297494 0.000000 Al\n0.000000 0.702506 0.000000 Al\n0.000000 0.297494 0.000000 Al\n0.702506 0.702506 0.000000 Al\n0.702506 0.000000 0.000000 Al\n0.818126 0.636252 0.500000 Ni\n0.636252 0.818126 0.500000 Ni\n0.181874 0.818126 0.500000 Ni\n0.181874 0.363748 0.500000 Ni\n0.818126 0.181874 0.500000 Ni\n0.363748 0.181874 0.500000 Ni\n",
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{
"id": "mp-1192541",
"created_at": "2022-09-04T14:46:22.515736Z",
"structure_string": "Ho12 Te12 N4\n1.0\n11.950827 0.000000 0.000000\n0.000000 8.093458 0.000000\n0.000000 2.810261 8.186682\nHo Te N\n12 12 4\ndirect\n0.022694 0.602132 0.136831 Ho\n0.522694 0.397868 0.363169 Ho\n0.977306 0.397868 0.863169 Ho\n0.477306 0.602132 0.636831 Ho\n0.412280 0.839468 0.204961 Ho\n0.912280 0.160532 0.295039 Ho\n0.587720 0.160532 0.795039 Ho\n0.087720 0.839468 0.704961 Ho\n0.709575 0.765780 0.346168 Ho\n0.209575 0.234220 0.153832 Ho\n0.290425 0.234220 0.653832 Ho\n0.790425 0.765780 0.846168 Ho\n0.980027 0.775572 0.414216 Te\n0.480027 0.224428 0.085784 Te\n0.019973 0.224428 0.585784 Te\n0.519973 0.775572 0.914216 Te\n0.265943 0.508759 0.312802 Te\n0.765943 0.491241 0.187198 Te\n0.734057 0.491241 0.687198 Te\n0.234057 0.508759 0.812802 Te\n0.308635 0.954841 0.482563 Te\n0.808635 0.045159 0.017437 Te\n0.691365 0.045159 0.517437 Te\n0.191365 0.954841 0.982563 Te\n0.534905 0.673129 0.376180 N\n0.034905 0.326871 0.123820 N\n0.465095 0.326871 0.623820 N\n0.965095 0.673129 0.876180 N\n",
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{
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"created_at": "2022-09-04T14:46:23.703478Z",
"structure_string": "Lu5 Ni19 B6\n1.0\n2.457999 -4.257379 0.000000\n2.457999 4.257379 0.000000\n0.000000 0.000000 16.971136\nLu Ni B\n5 19 6\ndirect\n0.000000 0.000000 0.701971 Lu\n0.000000 0.000000 0.298029 Lu\n0.000000 0.000000 0.903722 Lu\n0.000000 0.000000 0.096278 Lu\n0.000000 0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.333333 0.666667 0.295415 Ni\n0.666667 0.333333 0.295415 Ni\n0.666667 0.333333 0.704585 Ni\n0.333333 0.666667 0.704585 Ni\n0.500000 0.000000 0.176760 Ni\n0.500000 0.500000 0.176760 Ni\n0.000000 0.500000 0.176760 Ni\n0.500000 0.000000 0.823240 Ni\n0.500000 0.500000 0.823240 Ni\n0.000000 0.500000 0.823240 Ni\n0.500000 0.000000 0.414707 Ni\n0.500000 0.500000 0.414707 Ni\n0.000000 0.500000 0.414707 Ni\n0.500000 0.000000 0.585293 Ni\n0.500000 0.500000 0.585293 Ni\n0.000000 0.500000 0.585293 Ni\n0.500000 0.000000 0.000000 Ni\n0.333333 0.666667 0.909331 B\n0.666667 0.333333 0.909331 B\n0.666667 0.333333 0.090669 B\n0.333333 0.666667 0.090669 B\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
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{
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"structure_string": "Bi4 Pd6 S4\n1.0\n-4.227759 4.227759 4.227759\n4.227759 -4.227759 4.227759\n4.227759 4.227759 -4.227759\nBi Pd S\n4 6 4\ndirect\n0.007412 0.500000 0.000000 Bi\n0.492588 0.492588 0.492588 Bi\n0.000000 0.007412 0.500000 Bi\n0.500000 0.000000 0.007412 Bi\n0.529175 0.750000 0.279175 Pd\n0.279175 0.529175 0.750000 Pd\n0.250000 0.220825 0.970825 Pd\n0.220825 0.970825 0.250000 Pd\n0.750000 0.279175 0.529175 Pd\n0.970825 0.250000 0.220825 Pd\n0.553968 0.500000 0.000000 S\n0.500000 0.000000 0.553968 S\n0.946032 0.946032 0.946032 S\n0.000000 0.553968 0.500000 S\n",
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{
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"structure_string": "Fe8 P8 H32 N8 O32 F8\n1.0\n6.514809 0.000000 0.000000\n0.000000 10.821089 0.000000\n0.000000 0.000000 13.136967\nFe P H N O F\n8 8 32 8 32 8\ndirect\n0.488229 0.002417 0.386550 Fe\n0.511771 0.502417 0.613450 Fe\n0.011771 0.002417 0.886550 Fe\n0.988229 0.502417 0.113450 Fe\n0.252115 0.254296 0.249330 Fe\n0.747885 0.754296 0.750670 Fe\n0.247885 0.254296 0.749330 Fe\n0.752115 0.754296 0.250670 Fe\n0.330612 0.250149 0.503377 P\n0.669388 0.750149 0.496623 P\n0.169388 0.250149 0.003377 P\n0.830612 0.750149 0.996623 P\n0.498873 0.506541 0.184264 P\n0.501127 0.006541 0.815736 P\n0.001127 0.506541 0.684264 P\n0.998873 0.006541 0.315736 P\n0.939230 0.316420 0.400004 H\n0.060770 0.816420 0.599996 H\n0.560770 0.316420 0.900004 H\n0.439230 0.816420 0.099996 H\n0.761230 0.209833 0.382882 H\n0.238770 0.709833 0.617118 H\n0.738770 0.209833 0.882882 H\n0.261230 0.709833 0.117118 H\n0.728789 0.345692 0.324175 H\n0.271211 0.845692 0.675825 H\n0.771211 0.345692 0.824175 H\n0.228789 0.845692 0.175825 H\n0.694135 0.337030 0.450042 H\n0.305865 0.837030 0.549958 H\n0.805865 0.337030 0.950042 H\n0.194135 0.837030 0.049958 H\n0.643343 0.991456 0.141613 H\n0.356657 0.491456 0.858387 H\n0.856657 0.991456 0.641613 H\n0.143343 0.491456 0.358387 H\n0.544272 0.129836 0.107388 H\n0.455728 0.629836 0.892612 H\n0.955728 0.129836 0.607388 H\n0.044272 0.629836 0.392612 H\n0.666078 0.042498 0.018880 H\n0.333922 0.542498 0.981120 H\n0.833922 0.042498 0.518880 H\n0.166078 0.542498 0.481120 H\n0.803616 0.106097 0.113836 H\n0.196384 0.606097 0.886164 H\n0.696384 0.106097 0.613836 H\n0.303616 0.606097 0.386164 H\n0.782595 0.304408 0.389542 N\n0.217405 0.804408 0.610458 N\n0.717405 0.304408 0.889542 N\n0.282595 0.804408 0.110458 N\n0.663399 0.067521 0.095839 N\n0.336601 0.567521 0.904161 N\n0.836601 0.067521 0.595839 N\n0.163399 0.567521 0.404161 N\n0.470362 0.135461 0.489151 O\n0.529638 0.635461 0.510849 O\n0.029638 0.135461 0.989151 O\n0.970362 0.635461 0.010849 O\n0.474887 0.363321 0.520764 O\n0.525113 0.863321 0.479236 O\n0.025113 0.363321 0.020764 O\n0.974887 0.863321 0.979236 O\n0.202352 0.273964 0.405686 O\n0.797648 0.773964 0.594314 O\n0.297648 0.273964 0.905686 O\n0.702352 0.773964 0.094314 O\n0.189281 0.233690 0.597370 O\n0.810719 0.733690 0.402630 O\n0.310719 0.233690 0.097370 O\n0.689281 0.733690 0.902630 O\n0.307553 0.533977 0.115438 O\n0.692447 0.033977 0.884562 O\n0.192447 0.533977 0.615438 O\n0.807553 0.033977 0.384562 O\n0.686893 0.478729 0.116041 O\n0.313107 0.978729 0.883959 O\n0.813107 0.478729 0.616041 O\n0.186893 0.978729 0.383959 O\n0.540607 0.621035 0.253171 O\n0.459393 0.121035 0.746829 O\n0.959393 0.621035 0.753171 O\n0.040607 0.121035 0.246829 O\n0.454324 0.394325 0.254697 O\n0.545676 0.894325 0.745303 O\n0.045676 0.394325 0.754697 O\n0.954324 0.894325 0.245303 O\n0.473808 0.133827 0.276759 F\n0.526192 0.633827 0.723241 F\n0.026192 0.133827 0.776759 F\n0.973808 0.633827 0.223241 F\n0.034957 0.384877 0.232460 F\n0.965043 0.884877 0.767540 F\n0.465043 0.384877 0.732460 F\n0.534957 0.884877 0.267540 F\n",
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{
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}