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{
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{
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{
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"structure_string": "K6 Ti4 P10 S36\n1.0\n3.124668 11.589783 0.000000\n-3.124668 11.589783 0.000000\n0.000000 5.722859 20.059020\nK Ti P S\n6 4 10 36\ndirect\n0.730069 0.958368 0.673232 K\n0.269931 0.041632 0.326768 K\n0.041632 0.269931 0.826768 K\n0.958368 0.730069 0.173232 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.623635 0.141801 0.871157 Ti\n0.376365 0.858199 0.128843 Ti\n0.858199 0.376365 0.628843 Ti\n0.141801 0.623635 0.371157 Ti\n0.651861 0.860637 0.858708 P\n0.348139 0.139363 0.141292 P\n0.139363 0.348139 0.641292 P\n0.860637 0.651861 0.358708 P\n0.746085 0.253915 0.750000 P\n0.253915 0.746085 0.250000 P\n0.303058 0.451441 0.516175 P\n0.696942 0.548559 0.483825 P\n0.548559 0.696942 0.983825 P\n0.451441 0.303058 0.016175 P\n0.357299 0.221776 0.552711 S\n0.642701 0.778224 0.447289 S\n0.778224 0.642701 0.947289 S\n0.221776 0.357299 0.052711 S\n0.487604 0.360228 0.763549 S\n0.512396 0.639772 0.236451 S\n0.639772 0.512396 0.736451 S\n0.360228 0.487604 0.263549 S\n0.600640 0.821090 0.791580 S\n0.399360 0.178910 0.208420 S\n0.178910 0.399360 0.708420 S\n0.821090 0.600640 0.291580 S\n0.514125 0.676152 0.574124 S\n0.485875 0.323848 0.425876 S\n0.323848 0.485875 0.925876 S\n0.676152 0.514125 0.074124 S\n0.221385 0.105184 0.663727 S\n0.778615 0.894816 0.336273 S\n0.894816 0.778615 0.836273 S\n0.105184 0.221385 0.163727 S\n0.750759 0.984118 0.986341 S\n0.249241 0.015882 0.013659 S\n0.015882 0.249241 0.513659 S\n0.984118 0.750759 0.486341 S\n0.384367 0.181948 0.884072 S\n0.615633 0.818052 0.115928 S\n0.818052 0.615633 0.615928 S\n0.181948 0.384367 0.384072 S\n0.910973 0.050409 0.834862 S\n0.089027 0.949591 0.165138 S\n0.949591 0.089027 0.665138 S\n0.050409 0.910973 0.334862 S\n0.390822 0.465929 0.577088 S\n0.609178 0.534071 0.422912 S\n0.534071 0.609178 0.922912 S\n0.465929 0.390822 0.077088 S\n",
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"formula_full": "K6 Ti4 P10 S36",
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{
"id": "mp-1215726",
"created_at": "2022-09-04T14:40:38.847466Z",
"structure_string": "Zr2 P7 Rh12\n1.0\n4.786500 -8.290462 0.000000\n4.786500 8.290462 0.000000\n0.000000 0.000000 3.826060\nZr P Rh\n2 7 12\ndirect\n0.333333 0.666667 0.754863 Zr\n0.666667 0.333333 0.245137 Zr\n0.000000 0.000000 0.500000 P\n0.406416 0.285049 0.753769 P\n0.714951 0.121367 0.753769 P\n0.878633 0.593584 0.753769 P\n0.593584 0.714951 0.246231 P\n0.285049 0.878633 0.246231 P\n0.121367 0.406416 0.246231 P\n0.457229 0.074931 0.750210 Rh\n0.925069 0.382297 0.750210 Rh\n0.617703 0.542771 0.750210 Rh\n0.542771 0.925069 0.249790 Rh\n0.074931 0.617703 0.249790 Rh\n0.382297 0.457229 0.249790 Rh\n0.152502 0.264705 0.750802 Rh\n0.735295 0.887798 0.750802 Rh\n0.112202 0.847498 0.750802 Rh\n0.847498 0.735295 0.249198 Rh\n0.264705 0.112202 0.249198 Rh\n0.887798 0.152502 0.249198 Rh\n",
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{
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"structure_string": "Mn6 In4 N8\n1.0\n7.180327 0.998377 1.091812\n-4.485056 5.731361 -0.000000\n0.894684 0.700132 5.901812\nMn In N\n6 4 8\ndirect\n0.303783 0.027188 0.901133 Mn\n0.696217 0.723406 0.598867 Mn\n0.696217 0.972812 0.098867 Mn\n0.303783 0.276594 0.401133 Mn\n1.000000 0.817128 0.750000 Mn\n0.000000 0.182872 0.250000 Mn\n0.749540 0.256410 0.699366 In\n0.250460 0.506870 0.800634 In\n0.250460 0.743590 0.300634 In\n0.749540 0.493130 0.199366 In\n0.250707 0.100027 0.647758 N\n0.749293 0.849320 0.852242 N\n0.749293 0.899973 0.352242 N\n0.250707 0.150680 0.147758 N\n0.896191 0.266662 0.037407 N\n0.103809 0.370471 0.462593 N\n0.103809 0.733338 0.962593 N\n0.896191 0.629529 0.537407 N\n",
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{
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"structure_string": "Na4 Al4 Si6 O28\n1.0\n0.000000 9.146029 9.394370\n3.375657 0.000000 9.394370\n3.375657 9.146029 0.000000\nNa Al Si O\n4 4 6 28\ndirect\n0.605763 0.826357 0.453081 Na\n0.114799 0.453081 0.826357 Na\n0.796919 0.135201 0.644237 Na\n0.423643 0.644237 0.135201 Na\n0.733853 0.579369 0.694002 Al\n0.992775 0.694002 0.579369 Al\n0.555998 0.257225 0.516147 Al\n0.670631 0.516147 0.257225 Al\n0.243686 0.256314 0.256314 Si\n0.993686 0.006314 0.006314 Si\n0.498685 0.574736 0.695319 Si\n0.231259 0.695319 0.574736 Si\n0.554681 0.018741 0.751315 Si\n0.675264 0.751315 0.018741 Si\n0.020686 0.341597 0.445731 O\n0.191985 0.445731 0.341597 O\n0.804269 0.058015 0.229314 O\n0.908403 0.229314 0.058015 O\n0.601838 0.531226 0.762084 O\n0.104853 0.762084 0.531226 O\n0.487916 0.145147 0.648162 O\n0.718774 0.648162 0.145147 O\n0.620906 0.810443 0.678984 O\n0.889666 0.678984 0.810443 O\n0.571016 0.360334 0.629094 O\n0.439557 0.629094 0.360334 O\n0.598387 0.595732 0.486554 O\n0.319328 0.486554 0.595732 O\n0.763446 0.930672 0.651613 O\n0.654268 0.651613 0.930672 O\n0.226568 0.804994 0.914348 O\n0.054090 0.914348 0.804994 O\n0.335652 0.195910 0.023432 O\n0.445006 0.023432 0.195910 O\n0.106265 0.027800 0.245770 O\n0.620165 0.245770 0.027800 O\n0.004230 0.629835 0.143735 O\n0.222200 0.143735 0.629835 O\n0.120918 0.113778 0.145181 O\n0.620123 0.145181 0.113778 O\n0.104819 0.629877 0.129082 O\n0.136222 0.129082 0.629877 O\n",
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{
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"structure_string": "Rb1 Co2 As2\n1.0\n-1.896952 1.896952 7.248984\n1.896952 -1.896952 7.248984\n1.896952 1.896952 -7.248984\nRb Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.341572 0.341572 0.000000 As\n0.658428 0.658428 0.000000 As\n",
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"structure_string": "Rb16 Sb8 O20\n1.0\n6.731571 0.000000 0.000000\n0.000000 8.267714 0.000000\n0.000000 0.000000 19.478279\nRb Sb O\n16 8 20\ndirect\n0.250000 0.624905 0.842216 Rb\n0.250000 0.624990 0.511732 Rb\n0.750000 0.625004 0.987647 Rb\n0.750000 0.625089 0.656995 Rb\n0.250000 0.875010 0.011732 Rb\n0.250000 0.875095 0.342216 Rb\n0.750000 0.874911 0.156995 Rb\n0.750000 0.874996 0.487647 Rb\n0.750000 0.124905 0.657784 Rb\n0.250000 0.125089 0.843005 Rb\n0.750000 0.124990 0.988268 Rb\n0.250000 0.125004 0.512353 Rb\n0.250000 0.374911 0.343005 Rb\n0.750000 0.375010 0.488268 Rb\n0.250000 0.374996 0.012353 Rb\n0.750000 0.375095 0.157784 Rb\n0.250000 0.615633 0.164934 Sb\n0.750000 0.634375 0.335060 Sb\n0.750000 0.865625 0.835060 Sb\n0.250000 0.884367 0.664934 Sb\n0.750000 0.115633 0.335066 Sb\n0.250000 0.134375 0.164940 Sb\n0.250000 0.365625 0.664940 Sb\n0.750000 0.384367 0.835066 Sb\n0.529629 0.625186 0.399770 O\n0.029631 0.624836 0.100239 O\n0.750000 0.625039 0.807881 O\n0.470369 0.624836 0.100239 O\n0.970371 0.625186 0.399770 O\n0.529629 0.874814 0.899770 O\n0.750000 0.874961 0.307881 O\n0.470369 0.875164 0.600239 O\n0.029631 0.875164 0.600239 O\n0.970371 0.874814 0.899770 O\n0.029629 0.125186 0.100230 O\n0.470371 0.125186 0.100230 O\n0.970369 0.124836 0.399761 O\n0.529631 0.124836 0.399761 O\n0.250000 0.125039 0.692119 O\n0.029629 0.374814 0.600230 O\n0.470371 0.374814 0.600230 O\n0.529631 0.375164 0.899761 O\n0.970369 0.375164 0.899761 O\n0.250000 0.374961 0.192119 O\n",
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{
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{
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}