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{
"id": "mp-1182036",
"created_at": "2022-09-04T14:44:56.931779Z",
"structure_string": "Cd20 Si8 O40\n1.0\n5.012668 0.000000 0.000000\n0.000000 11.412021 0.000000\n0.000000 5.839372 16.575119\nCd Si O\n20 8 40\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.490707 0.269504 0.900348 Cd\n0.990707 0.230496 0.099652 Cd\n0.509293 0.730496 0.099652 Cd\n0.009293 0.769504 0.900348 Cd\n0.515130 0.235703 0.600159 Cd\n0.015130 0.264297 0.399841 Cd\n0.484870 0.764297 0.399841 Cd\n0.984870 0.735703 0.600159 Cd\n0.985804 0.407566 0.711978 Cd\n0.485804 0.092434 0.288022 Cd\n0.014196 0.592434 0.288022 Cd\n0.514196 0.907566 0.711978 Cd\n0.022467 0.102711 0.787555 Cd\n0.522467 0.397289 0.212445 Cd\n0.977533 0.897289 0.212445 Cd\n0.477533 0.602711 0.787555 Cd\n0.924485 0.459507 0.898007 Si\n0.424485 0.040493 0.101993 Si\n0.075515 0.540493 0.101993 Si\n0.575515 0.959507 0.898007 Si\n0.075271 0.047310 0.599935 Si\n0.575271 0.452690 0.400065 Si\n0.924729 0.952690 0.400065 Si\n0.424729 0.547310 0.599935 Si\n0.783044 0.438434 0.818285 O\n0.283044 0.061566 0.181715 O\n0.216956 0.561566 0.181715 O\n0.716956 0.938434 0.818285 O\n0.215437 0.072754 0.678608 O\n0.715437 0.427246 0.321392 O\n0.784563 0.927246 0.321392 O\n0.284563 0.572754 0.678608 O\n0.703330 0.091874 0.902154 O\n0.203330 0.408126 0.097846 O\n0.296670 0.908126 0.097846 O\n0.796670 0.591874 0.902154 O\n0.299112 0.413274 0.598039 O\n0.799112 0.086726 0.401961 O\n0.700888 0.586726 0.401961 O\n0.200888 0.913274 0.598039 O\n0.797497 0.348370 0.976958 O\n0.297497 0.151630 0.023042 O\n0.202503 0.651630 0.023042 O\n0.702503 0.848370 0.976958 O\n0.208269 0.154854 0.520684 O\n0.708269 0.345146 0.479316 O\n0.791731 0.845146 0.479316 O\n0.291731 0.654854 0.520684 O\n0.747676 0.047548 0.602680 O\n0.247676 0.452452 0.397320 O\n0.252324 0.952452 0.397320 O\n0.752324 0.547548 0.602680 O\n0.252129 0.458947 0.894807 O\n0.752129 0.041053 0.105193 O\n0.747871 0.541053 0.105193 O\n0.247871 0.958947 0.894807 O\n0.269105 0.263354 0.791195 O\n0.769105 0.236646 0.208805 O\n0.730895 0.736646 0.208805 O\n0.230895 0.763354 0.791195 O\n0.740436 0.246633 0.708307 O\n0.240436 0.253367 0.291693 O\n0.259564 0.753367 0.291693 O\n0.759564 0.746633 0.708307 O\n",
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{
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"created_at": "2022-09-04T14:44:56.947128Z",
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"formula_full": "H48 Au8 Br8 N16",
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{
"id": "mp-554554",
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"structure_string": "K18 Bi2 P8 S32\n1.0\n9.092940 0.000000 0.000000\n0.000000 9.796235 0.000000\n0.000000 0.000000 18.607667\nK Bi P S\n18 2 8 32\ndirect\n0.142919 0.997537 0.576224 K\n0.128851 0.483033 0.414585 K\n0.479735 0.238080 0.732370 K\n0.502973 0.753581 0.250747 K\n0.500000 0.231800 0.500000 K\n0.628851 0.516967 0.085415 K\n0.357081 0.002463 0.076224 K\n0.857081 0.997537 0.423776 K\n0.002973 0.246419 0.249253 K\n0.997027 0.246419 0.750747 K\n0.497027 0.753581 0.749253 K\n0.371149 0.516967 0.914585 K\n0.000000 0.768200 0.000000 K\n0.642919 0.002463 0.923776 K\n0.020265 0.761920 0.232370 K\n0.979735 0.761920 0.767630 K\n0.520265 0.238080 0.267630 K\n0.871149 0.483033 0.585415 K\n0.500000 0.722632 0.500000 Bi\n0.000000 0.277368 0.000000 Bi\n0.791284 0.490637 0.877841 P\n0.729019 0.978016 0.635395 P\n0.708716 0.509363 0.377841 P\n0.291284 0.509363 0.622159 P\n0.229019 0.021984 0.864605 P\n0.270981 0.978016 0.364605 P\n0.770981 0.021984 0.135395 P\n0.208716 0.490637 0.122159 P\n0.767706 0.998323 0.244784 S\n0.306590 0.849433 0.913795 S\n0.786096 0.667554 0.442422 S\n0.647277 0.183986 0.103138 S\n0.852723 0.816014 0.603138 S\n0.519314 0.517166 0.609082 S\n0.713904 0.332446 0.942422 S\n0.980686 0.482834 0.109082 S\n0.703876 0.666177 0.917881 S\n0.693410 0.849433 0.086205 S\n0.762287 0.527294 0.272315 S\n0.147277 0.816014 0.396862 S\n0.019314 0.482834 0.890918 S\n0.262287 0.472706 0.227685 S\n0.480686 0.517166 0.390918 S\n0.009528 0.055696 0.896000 S\n0.267706 0.001677 0.255216 S\n0.732294 0.001677 0.744784 S\n0.990472 0.055696 0.104000 S\n0.796124 0.333823 0.417881 S\n0.237713 0.527294 0.727685 S\n0.213904 0.667554 0.557578 S\n0.352723 0.183986 0.896862 S\n0.286096 0.332446 0.057578 S\n0.193410 0.150567 0.413795 S\n0.296124 0.666177 0.082119 S\n0.203876 0.333823 0.582119 S\n0.232294 0.998323 0.755216 S\n0.737713 0.472706 0.772315 S\n0.509528 0.944304 0.604000 S\n0.806590 0.150567 0.586205 S\n0.490472 0.944304 0.396000 S\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Na4 Si8 O20\n1.0\n-5.179834 5.179834 4.704181\n5.179834 -5.179834 4.704181\n5.179834 5.179834 -4.704181\nNa Si O\n4 8 20\ndirect\n0.521630 0.260064 0.545071 Na\n0.714993 0.976559 0.454929 Na\n0.739936 0.285007 0.261565 Na\n0.023441 0.478370 0.738435 Na\n0.096670 0.162506 0.313607 Si\n0.848899 0.783063 0.686393 Si\n0.837494 0.151101 0.934164 Si\n0.216937 0.903330 0.065836 Si\n0.395992 0.604070 0.501603 Si\n0.102467 0.894389 0.498397 Si\n0.395930 0.897533 0.791922 Si\n0.105611 0.604008 0.208078 Si\n0.349126 0.686863 0.664515 O\n0.022348 0.684611 0.335485 O\n0.313137 0.977652 0.662263 O\n0.315389 0.650874 0.337737 O\n0.622899 0.719355 0.571690 O\n0.147665 0.051209 0.428310 O\n0.280645 0.852335 0.903544 O\n0.948791 0.377101 0.096456 O\n0.806132 0.555794 0.601580 O\n0.954214 0.204552 0.398420 O\n0.444206 0.045786 0.250338 O\n0.795448 0.193868 0.749662 O\n0.305063 0.378712 0.436179 O\n0.942533 0.868884 0.563821 O\n0.621288 0.057467 0.926351 O\n0.131116 0.694937 0.073649 O\n0.971942 0.800404 0.885776 O\n0.914627 0.086165 0.114224 O\n0.199596 0.085373 0.171538 O\n0.913835 0.028058 0.828462 O\n",
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{
"id": "mp-1187743",
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"structure_string": "Tm1 Mg16 Al12\n1.0\n5.288069 -7.617119 0.000000\n5.288069 7.617119 0.000000\n-5.683893 0.000000 7.326495\nTm Mg Al\n1 16 12\ndirect\n0.627732 0.627732 0.627732 Tm\n0.002636 0.002636 0.002636 Mg\n0.282960 0.685376 0.685376 Mg\n0.344946 0.004707 0.004707 Mg\n0.720291 0.390286 0.390286 Mg\n0.998291 0.606001 0.310794 Mg\n0.606001 0.310794 0.998291 Mg\n0.390286 0.720291 0.390286 Mg\n0.004707 0.344946 0.004707 Mg\n0.310794 0.998291 0.606001 Mg\n0.685376 0.685376 0.282960 Mg\n0.685376 0.282960 0.685376 Mg\n0.310794 0.606001 0.998291 Mg\n0.004707 0.004707 0.344946 Mg\n0.390286 0.390286 0.720291 Mg\n0.606001 0.998291 0.310794 Mg\n0.998291 0.310794 0.606001 Mg\n0.191196 0.370408 0.370408 Al\n0.825237 0.189855 0.189855 Al\n0.996284 0.814547 0.635959 Al\n0.370408 0.370408 0.191196 Al\n0.635959 0.996284 0.814547 Al\n0.814547 0.996284 0.635959 Al\n0.189855 0.189855 0.825237 Al\n0.189855 0.825237 0.189855 Al\n0.814547 0.635959 0.996284 Al\n0.635959 0.814547 0.996284 Al\n0.370408 0.191196 0.370408 Al\n0.996284 0.635959 0.814547 Al\n",
"nsites": 29,
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"elements": [
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],
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"formula_full": "Tm1 Mg16 Al12",
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"spacegroup": 160
},
{
"id": "mp-771081",
"created_at": "2022-09-04T14:44:57.016014Z",
"structure_string": "Li6 Ni2 B10 O20\n1.0\n6.889499 0.000000 0.000000\n3.364008 6.219748 0.000000\n3.383665 0.004763 8.653771\nLi Ni B O\n6 2 10 20\ndirect\n0.244069 0.492030 0.246641 Li\n0.821204 0.992754 0.158783 Li\n0.020014 0.193008 0.464080 Li\n0.979986 0.806992 0.535920 Li\n0.178796 0.007246 0.841217 Li\n0.755931 0.507970 0.753359 Li\n0.219135 0.513918 0.882251 Ni\n0.780865 0.486082 0.117749 Ni\n0.305198 0.802387 0.070113 B\n0.411621 0.857167 0.288581 B\n0.362092 0.746844 0.568995 B\n0.213628 0.168143 0.130339 B\n0.746432 0.713986 0.397255 B\n0.253568 0.286014 0.602745 B\n0.786372 0.831857 0.869661 B\n0.637908 0.253156 0.431005 B\n0.588379 0.142833 0.711419 B\n0.694802 0.197613 0.929887 B\n0.268151 0.694316 0.991025 O\n0.271547 0.840273 0.447607 O\n0.412561 0.717344 0.184077 O\n0.215139 0.733002 0.706305 O\n0.128685 0.379373 0.097175 O\n0.659478 0.777957 0.271424 O\n0.045107 0.304985 0.622520 O\n0.692741 0.913199 0.751240 O\n0.599570 0.681210 0.541681 O\n0.779665 0.974824 0.959794 O\n0.220335 0.025176 0.040206 O\n0.400430 0.318790 0.458319 O\n0.307259 0.086801 0.248760 O\n0.954893 0.695015 0.377480 O\n0.340522 0.222043 0.728576 O\n0.871315 0.620627 0.902825 O\n0.784861 0.266998 0.293695 O\n0.587439 0.282656 0.815923 O\n0.728453 0.159727 0.552393 O\n0.731849 0.305684 0.008975 O\n",
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],
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}
]
}