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{
"id": "mp-753945",
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{
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{
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"structure_string": "Pr7 O12\n1.0\n4.498563 -5.315963 0.000000\n4.498563 5.315963 0.000000\n-1.783323 0.000000 6.731737\nPr O\n7 12\ndirect\n0.000000 0.000000 0.000000 Pr\n0.861190 0.391910 0.699068 Pr\n0.699068 0.861190 0.391910 Pr\n0.391910 0.699068 0.861190 Pr\n0.138810 0.608090 0.300932 Pr\n0.300932 0.138810 0.608090 Pr\n0.608090 0.300932 0.138810 Pr\n0.933773 0.325573 0.060488 O\n0.060488 0.933773 0.325573 O\n0.325573 0.060488 0.933773 O\n0.066227 0.674427 0.939512 O\n0.939512 0.066227 0.674427 O\n0.674427 0.939512 0.066227 O\n0.580883 0.178995 0.438264 O\n0.438264 0.580883 0.178995 O\n0.178995 0.438264 0.580883 O\n0.419117 0.821005 0.561736 O\n0.561736 0.419117 0.821005 O\n0.821005 0.561736 0.419117 O\n",
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{
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"structure_string": "Yb10 In4 Sb12\n1.0\n4.546526 0.000000 0.000000\n0.000000 7.457711 0.000000\n0.000000 0.000000 23.158546\nYb In Sb\n10 4 12\ndirect\n0.500000 0.041482 0.910256 Yb\n0.500000 0.541482 0.589744 Yb\n0.500000 0.958518 0.089744 Yb\n0.500000 0.230912 0.744339 Yb\n0.500000 0.458518 0.410256 Yb\n0.500000 0.500000 0.000000 Yb\n0.500000 0.269088 0.244339 Yb\n0.500000 0.769088 0.255661 Yb\n0.500000 0.730912 0.755661 Yb\n0.500000 0.000000 0.500000 Yb\n0.000000 0.323095 0.120107 In\n0.000000 0.676905 0.879893 In\n0.000000 0.823095 0.379893 In\n0.000000 0.176905 0.620107 In\n0.000000 0.697299 0.501263 Sb\n0.500000 0.048823 0.363001 Sb\n0.000000 0.004636 0.189818 Sb\n0.000000 0.504636 0.310182 Sb\n0.000000 0.995364 0.810182 Sb\n0.000000 0.495364 0.689818 Sb\n0.500000 0.451177 0.863001 Sb\n0.000000 0.197299 0.998737 Sb\n0.500000 0.548823 0.136999 Sb\n0.000000 0.302701 0.498737 Sb\n0.000000 0.802701 0.001263 Sb\n0.500000 0.951177 0.636999 Sb\n",
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{
"id": "mp-759360",
"created_at": "2022-09-04T14:45:37.267321Z",
"structure_string": "Li4 Bi4 P16 O48\n1.0\n8.113942 0.000000 0.000000\n0.000000 9.943782 0.000000\n0.000000 0.000000 13.505928\nLi Bi P O\n4 4 16 48\ndirect\n0.558307 0.250000 0.000000 Li\n0.441693 0.750000 0.000000 Li\n0.058307 0.250000 0.500000 Li\n0.941693 0.750000 0.500000 Li\n0.986916 0.750000 0.000000 Bi\n0.013084 0.250000 0.000000 Bi\n0.513084 0.250000 0.500000 Bi\n0.486916 0.750000 0.500000 Bi\n0.185036 0.515960 0.150835 P\n0.814964 0.015960 0.150835 P\n0.561869 0.510549 0.142627 P\n0.438131 0.010549 0.142627 P\n0.061869 0.510549 0.357373 P\n0.938131 0.010549 0.357373 P\n0.314964 0.015960 0.349165 P\n0.685036 0.515960 0.349165 P\n0.314964 0.484040 0.650835 P\n0.685036 0.984040 0.650835 P\n0.061869 0.989451 0.642627 P\n0.938131 0.489451 0.642627 P\n0.438131 0.489451 0.857373 P\n0.561869 0.989451 0.857373 P\n0.185036 0.984040 0.849165 P\n0.814964 0.484040 0.849165 P\n0.178115 0.627301 0.071781 O\n0.821885 0.127301 0.071781 O\n0.575261 0.623548 0.070472 O\n0.424739 0.123548 0.070472 O\n0.089632 0.390204 0.124585 O\n0.910368 0.890204 0.124585 O\n0.357678 0.878690 0.126658 O\n0.642322 0.378690 0.126658 O\n0.368515 0.478935 0.171963 O\n0.631485 0.978935 0.171963 O\n0.115509 0.578751 0.249721 O\n0.884491 0.078751 0.249721 O\n0.384491 0.078751 0.250279 O\n0.615509 0.578751 0.250279 O\n0.131485 0.978935 0.328037 O\n0.868515 0.478935 0.328037 O\n0.142322 0.378690 0.373342 O\n0.857678 0.878690 0.373342 O\n0.589632 0.390204 0.375415 O\n0.410368 0.890204 0.375415 O\n0.075261 0.623548 0.429528 O\n0.924739 0.123548 0.429528 O\n0.678115 0.627301 0.428219 O\n0.321885 0.127301 0.428219 O\n0.321885 0.372699 0.571781 O\n0.678115 0.872699 0.571781 O\n0.075261 0.876452 0.570472 O\n0.924739 0.376452 0.570472 O\n0.410368 0.609796 0.624585 O\n0.589632 0.109796 0.624585 O\n0.142322 0.121310 0.626658 O\n0.857678 0.621310 0.626658 O\n0.131485 0.521065 0.671963 O\n0.868515 0.021065 0.671963 O\n0.384491 0.421249 0.749721 O\n0.615509 0.921249 0.749721 O\n0.115509 0.921249 0.750279 O\n0.884491 0.421249 0.750279 O\n0.368515 0.021065 0.828037 O\n0.631485 0.521065 0.828037 O\n0.357678 0.621310 0.873342 O\n0.642322 0.121310 0.873342 O\n0.089632 0.109796 0.875415 O\n0.910368 0.609796 0.875415 O\n0.424739 0.376452 0.929528 O\n0.575261 0.876452 0.929528 O\n0.178115 0.872699 0.928219 O\n0.821885 0.372699 0.928219 O\n",
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{
"id": "mp-1182772",
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"structure_string": "Hg1 H3 I1 O6\n1.0\n12.350696 0.000000 0.000000\n5.821764 12.847438 0.000000\n2.697509 5.787997 13.048756\nHg H I O\n1 3 1 6\ndirect\n0.000387 0.999921 0.000280 Hg\n0.578562 0.129746 0.679944 H\n0.899447 0.310859 0.347471 H\n0.188623 0.615569 0.781469 H\n0.522702 0.522350 0.482951 I\n0.780128 0.426098 0.734854 O\n0.542672 0.889457 0.318377 O\n0.503264 0.128643 0.667184 O\n0.271550 0.578458 0.241124 O\n0.871041 0.340631 0.277022 O\n0.174344 0.663848 0.707664 O\n",
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{
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"structure_string": "Li4 V4 P8 O28\n1.0\n8.483190 0.000000 0.000000\n0.000000 7.042152 0.000000\n0.000000 3.531350 8.572637\nLi V P O\n4 4 8 28\ndirect\n0.571499 0.802200 0.096957 Li\n0.071499 0.197800 0.403043 Li\n0.928501 0.802200 0.596957 Li\n0.428501 0.197800 0.903043 Li\n0.928915 0.694845 0.188881 V\n0.428915 0.305155 0.311119 V\n0.571085 0.694845 0.688881 V\n0.071085 0.305155 0.811119 V\n0.715431 0.474748 0.467029 P\n0.215431 0.525252 0.032971 P\n0.736883 0.066596 0.759726 P\n0.236883 0.933404 0.740274 P\n0.763117 0.066596 0.259726 P\n0.263117 0.933404 0.240274 P\n0.784569 0.474748 0.967029 P\n0.284569 0.525252 0.532971 P\n0.584557 0.506762 0.348461 O\n0.880531 0.479974 0.391535 O\n0.783770 0.632398 0.046784 O\n0.283770 0.367602 0.453216 O\n0.380531 0.520026 0.108465 O\n0.689631 0.252370 0.595819 O\n0.084557 0.493238 0.151539 O\n0.248008 0.117195 0.790754 O\n0.900358 0.121050 0.806187 O\n0.609737 0.044274 0.877448 O\n0.810369 0.252370 0.095819 O\n0.109737 0.955726 0.622552 O\n0.251992 0.117195 0.290754 O\n0.599642 0.121050 0.306187 O\n0.400358 0.878950 0.693813 O\n0.748008 0.882805 0.709246 O\n0.890263 0.044274 0.377448 O\n0.189631 0.747630 0.904181 O\n0.390263 0.955726 0.122552 O\n0.099642 0.878950 0.193813 O\n0.751992 0.882805 0.209246 O\n0.915443 0.506762 0.848461 O\n0.310369 0.747630 0.404181 O\n0.619469 0.479974 0.891535 O\n0.716230 0.632398 0.546784 O\n0.216230 0.367602 0.953216 O\n0.119469 0.520026 0.608465 O\n0.415443 0.493238 0.651539 O\n",
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{
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{
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"structure_string": "Yb4 Sb6 Rh7\n1.0\n-4.379081 4.379081 4.379081\n4.379081 -4.379081 4.379081\n4.379081 4.379081 -4.379081\nYb Sb Rh\n4 6 7\ndirect\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Yb\n0.317426 0.000000 0.317426 Sb\n0.000000 0.682574 0.682574 Sb\n0.682574 0.682574 0.000000 Sb\n0.682574 0.000000 0.682574 Sb\n0.000000 0.317426 0.317426 Sb\n0.317426 0.317426 0.000000 Sb\n0.250000 0.500000 0.750000 Rh\n0.500000 0.250000 0.750000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.750000 0.250000 Rh\n0.000000 0.000000 0.000000 Rh\n0.250000 0.750000 0.500000 Rh\n0.750000 0.500000 0.250000 Rh\n",
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{
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{
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"structure_string": "Yb12 Si8 Cl4 O32\n1.0\n6.323449 0.000000 0.000000\n0.000000 6.954843 0.000000\n0.000000 0.000000 18.057882\nYb Si Cl O\n12 8 4 32\ndirect\n0.125324 0.015336 0.092848 Yb\n0.625324 0.484664 0.907152 Yb\n0.374676 0.515336 0.407152 Yb\n0.887074 0.287838 0.250000 Yb\n0.112926 0.712162 0.750000 Yb\n0.612926 0.787838 0.250000 Yb\n0.874676 0.984664 0.907152 Yb\n0.387074 0.212162 0.750000 Yb\n0.374676 0.515336 0.092848 Yb\n0.125324 0.015336 0.407152 Yb\n0.625324 0.484664 0.592848 Yb\n0.874676 0.984664 0.592848 Yb\n0.625493 0.018448 0.398864 Si\n0.625493 0.018448 0.101136 Si\n0.374507 0.981552 0.898864 Si\n0.374507 0.981552 0.601136 Si\n0.125493 0.481552 0.601136 Si\n0.874507 0.518448 0.101136 Si\n0.874507 0.518448 0.398864 Si\n0.125493 0.481552 0.898864 Si\n0.259866 0.536681 0.250000 Cl\n0.759866 0.963319 0.750000 Cl\n0.240134 0.036681 0.250000 Cl\n0.740134 0.463319 0.750000 Cl\n0.278445 0.462228 0.825799 O\n0.025389 0.329922 0.116453 O\n0.025389 0.329922 0.383547 O\n0.716486 0.506376 0.470052 O\n0.545463 0.805890 0.907199 O\n0.783514 0.006376 0.029948 O\n0.778445 0.037772 0.325799 O\n0.045463 0.694110 0.407199 O\n0.974611 0.670078 0.616453 O\n0.525389 0.170078 0.616453 O\n0.954537 0.305890 0.907199 O\n0.278445 0.462228 0.674201 O\n0.283514 0.493624 0.529948 O\n0.474611 0.829922 0.116453 O\n0.216486 0.993624 0.529948 O\n0.221555 0.962228 0.674201 O\n0.783514 0.006376 0.470052 O\n0.216486 0.993624 0.970052 O\n0.045463 0.694110 0.092801 O\n0.778445 0.037772 0.174201 O\n0.525389 0.170078 0.883547 O\n0.954537 0.305890 0.592801 O\n0.716486 0.506376 0.029948 O\n0.283514 0.493624 0.970052 O\n0.221555 0.962228 0.825799 O\n0.974611 0.670078 0.883547 O\n0.454537 0.194110 0.407199 O\n0.545463 0.805890 0.592801 O\n0.454537 0.194110 0.092801 O\n0.721555 0.537772 0.325799 O\n0.474611 0.829922 0.383547 O\n0.721555 0.537772 0.174201 O\n",
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{
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"structure_string": "Sr1 Mg14 Cu1 O16\n1.0\n8.641464 0.000000 0.000000\n0.000000 8.641464 -0.000000\n0.000000 0.000000 4.405169\nSr Mg Cu O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Sr\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.246604 0.500000 Mg\n-0.000000 0.753396 0.500000 Mg\n0.500000 0.240298 0.500000 Mg\n0.500000 0.759702 0.500000 Mg\n0.246604 -0.000000 0.500000 Mg\n0.240298 0.500000 0.500000 Mg\n0.753396 0.000000 0.500000 Mg\n0.759702 0.500000 0.500000 Mg\n0.243419 0.243419 0.000000 Mg\n0.243419 0.756581 -0.000000 Mg\n0.756581 0.243419 0.000000 Mg\n0.756581 0.756581 0.000000 Mg\n-0.000000 0.000000 0.000000 Cu\n0.247570 -0.000000 -0.000000 O\n0.228347 0.500000 0.000000 O\n0.752430 0.000000 0.000000 O\n0.771653 0.500000 0.000000 O\n0.249568 0.249568 0.500000 O\n0.249568 0.750432 0.500000 O\n0.750432 0.249568 0.500000 O\n0.750432 0.750432 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.247570 -0.000000 O\n-0.000000 0.752430 0.000000 O\n0.500000 0.228347 0.000000 O\n0.500000 0.771653 -0.000000 O\n",
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}