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{
"id": "mp-1019091",
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"structure_string": "La2 Se4\n1.0\n4.226958 0.000000 0.000000\n0.000000 4.226958 0.000000\n0.000000 0.000000 8.704299\nLa Se\n2 4\ndirect\n0.000000 0.500000 0.724309 La\n0.500000 0.000000 0.275691 La\n0.000000 0.500000 0.364330 Se\n0.500000 0.000000 0.635670 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n",
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{
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"structure_string": "Na8 Al6 Si6 Cl2 O32\n1.0\n9.186141 0.000000 0.000000\n-0.011048 9.195620 0.000000\n-0.002164 -0.022561 9.197705\nNa Al Si Cl O\n8 6 6 2 32\ndirect\n0.784947 0.220926 0.213464 Na\n0.218816 0.779193 0.217906 Na\n0.718670 0.711828 0.282890 Na\n0.286059 0.283131 0.285249 Na\n0.274278 0.728374 0.727618 Na\n0.719507 0.278527 0.720530 Na\n0.790766 0.787475 0.790586 Na\n0.217575 0.215048 0.785109 Na\n0.499848 0.750192 0.998727 Al\n0.000266 0.499562 0.251594 Al\n0.750577 0.000238 0.499362 Al\n0.250810 0.999838 0.499121 Al\n0.001440 0.499350 0.750622 Al\n0.501427 0.249367 0.000385 Al\n0.250462 0.499328 0.000818 Si\n0.751812 0.499533 0.001428 Si\n0.500050 0.999517 0.249467 Si\n0.001354 0.249729 0.499825 Si\n0.000180 0.749744 0.502087 Si\n0.501805 0.999826 0.748886 Si\n0.007460 0.017262 0.982875 Cl\n0.512975 0.479829 0.528862 Cl\n0.349661 0.357810 0.042910 O\n0.652009 0.642705 0.039453 O\n0.154133 0.540798 0.145720 O\n0.844419 0.460674 0.148485 O\n0.458041 0.856048 0.152216 O\n0.542685 0.143506 0.153963 O\n0.643112 0.957355 0.346551 O\n0.353023 0.039588 0.342483 O\n0.959798 0.650245 0.360635 O\n0.044264 0.347190 0.357436 O\n0.541572 0.537298 0.383267 O\n0.143789 0.846468 0.457561 O\n0.857390 0.153214 0.455264 O\n0.856689 0.847633 0.540751 O\n0.144713 0.152789 0.540604 O\n0.500179 0.321116 0.520621 O\n0.376827 0.539763 0.583796 O\n0.633380 0.517595 0.626656 O\n0.039864 0.655747 0.647532 O\n0.960493 0.345325 0.644535 O\n0.360226 0.958410 0.648917 O\n0.645972 0.039751 0.653305 O\n0.540081 0.855880 0.845787 O\n0.460472 0.143527 0.846681 O\n0.154490 0.457549 0.857303 O\n0.850921 0.538424 0.860349 O\n0.131978 0.979025 0.885482 O\n0.872110 0.031305 0.895677 O\n0.344191 0.645804 0.962011 O\n0.656115 0.354280 0.962146 O\n0.924202 0.793392 0.056333 O\n0.038914 0.162670 0.050657 O\n",
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"spacegroup": 1
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{
"id": "mp-569548",
"created_at": "2022-09-04T14:41:16.105203Z",
"structure_string": "Cs2 Au2 Br6\n1.0\n-3.964249 3.964249 5.865177\n3.964249 -3.964249 5.865177\n3.964249 3.964249 -5.865177\nCs Au Br\n2 2 6\ndirect\n0.250000 0.750000 0.500000 Cs\n0.750000 0.250000 0.500000 Cs\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.289936 0.289936 0.000000 Br\n0.224621 0.775379 0.000000 Br\n0.710064 0.710064 0.000000 Br\n0.224621 0.224621 0.449243 Br\n0.775379 0.224621 0.000000 Br\n0.775379 0.775379 0.550757 Br\n",
"nsites": 10,
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"volume": 368.69136375491837,
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"formula_full": "Cs2 Au2 Br6",
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{
"id": "mp-863358",
"created_at": "2022-09-04T14:41:21.029020Z",
"structure_string": "K2 Al22 O34\n1.0\n2.827797 -4.890562 0.000000\n2.827797 4.890562 0.000000\n0.000000 0.000000 22.909107\nK Al O\n2 22 34\ndirect\n0.815543 0.184457 0.750000 K\n0.184457 0.815543 0.250000 K\n0.667428 0.332572 0.894321 Al\n0.667428 0.332572 0.605679 Al\n0.831859 0.168141 0.175255 Al\n0.833316 0.166684 0.024779 Al\n0.500000 0.500000 0.000000 Al\n0.831859 0.168141 0.324745 Al\n0.500000 0.500000 0.500000 Al\n0.833316 0.166684 0.475221 Al\n0.668346 0.834805 0.606422 Al\n0.668346 0.834805 0.893578 Al\n0.165195 0.331654 0.893578 Al\n0.165195 0.331654 0.606422 Al\n0.834805 0.668346 0.393578 Al\n0.834805 0.668346 0.106422 Al\n0.331654 0.165195 0.393578 Al\n0.168141 0.831859 0.675255 Al\n0.168141 0.831859 0.824745 Al\n0.166684 0.833316 0.524779 Al\n0.166684 0.833316 0.975221 Al\n0.331654 0.165195 0.106422 Al\n0.332572 0.667428 0.105679 Al\n0.332572 0.667428 0.394321 Al\n0.657008 0.342992 0.049422 O\n0.657008 0.342992 0.450578 O\n0.505162 0.003063 0.644684 O\n0.505162 0.003063 0.855316 O\n0.821453 0.178547 0.250000 O\n0.657220 0.814192 0.450430 O\n0.499793 0.500207 0.140923 O\n0.499793 0.500207 0.359077 O\n0.834028 0.165972 0.555217 O\n0.500207 0.499793 0.859077 O\n0.500207 0.499793 0.640923 O\n0.834028 0.165972 0.944783 O\n0.657220 0.814192 0.049570 O\n0.996937 0.494838 0.855316 O\n0.996937 0.494838 0.644684 O\n0.814192 0.657220 0.549570 O\n0.814192 0.657220 0.950430 O\n0.997994 0.002006 0.645849 O\n0.997994 0.002006 0.854151 O\n0.002006 0.997994 0.354151 O\n0.002006 0.997994 0.145849 O\n0.185808 0.342780 0.049570 O\n0.185808 0.342780 0.450430 O\n0.003063 0.505162 0.355316 O\n0.165972 0.834028 0.444783 O\n0.003063 0.505162 0.144684 O\n0.342780 0.185808 0.950430 O\n0.342780 0.185808 0.549570 O\n0.165972 0.834028 0.055217 O\n0.178547 0.821453 0.750000 O\n0.494838 0.996937 0.144684 O\n0.494838 0.996937 0.355316 O\n0.342992 0.657008 0.950578 O\n0.342992 0.657008 0.549422 O\n",
"nsites": 58,
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"elements": [
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],
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"density": 3.1860705108012684,
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"formula_full": "K2 Al22 O34",
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{
"id": "mp-1223774",
"created_at": "2022-09-04T14:41:21.041191Z",
"structure_string": "K7 Rb1 Ti8 P8 O40\n1.0\n6.480805 0.000000 0.000000\n0.004174 10.703793 0.000000\n0.019417 0.001699 13.005792\nK Rb Ti P O\n7 1 8 8 40\ndirect\n0.193232 0.569255 0.395649 K\n0.306735 0.569221 0.895671 K\n0.693250 0.069235 0.104361 K\n0.721911 0.311613 0.877198 K\n0.278120 0.811544 0.122885 K\n0.221893 0.811441 0.622939 K\n0.778042 0.311659 0.376950 K\n0.811692 0.069831 0.604396 Rb\n0.237346 0.254953 0.747332 Ti\n0.763285 0.754540 0.252919 Ti\n0.736568 0.754433 0.753097 Ti\n0.263342 0.254633 0.246939 Ti\n0.004204 0.002285 0.871787 Ti\n0.996115 0.502394 0.128598 Ti\n0.503996 0.502530 0.628562 Ti\n0.495759 0.002380 0.371101 Ti\n0.163225 0.260426 0.999134 P\n0.836775 0.760390 0.000943 P\n0.663019 0.760156 0.500866 P\n0.335963 0.260963 0.498815 P\n0.000241 0.512836 0.681291 P\n0.999763 0.012739 0.318183 P\n0.499977 0.012746 0.819003 P\n0.499676 0.512894 0.181309 P\n0.303841 0.240247 0.095147 O\n0.696198 0.740225 0.904919 O\n0.803979 0.740204 0.404765 O\n0.196861 0.240786 0.595466 O\n0.014762 0.149504 0.986687 O\n0.985317 0.649435 0.013494 O\n0.514601 0.649278 0.513543 O\n0.482868 0.149414 0.485220 O\n0.961850 0.628509 0.751805 O\n0.038466 0.128550 0.248016 O\n0.461007 0.128435 0.748693 O\n0.537970 0.628500 0.251809 O\n0.040626 0.400172 0.753456 O\n0.959596 0.899896 0.246305 O\n0.540364 0.899896 0.746907 O\n0.459099 0.400144 0.253422 O\n0.190426 0.541622 0.613201 O\n0.808469 0.041577 0.385395 O\n0.690208 0.041670 0.886687 O\n0.309756 0.541642 0.113251 O\n0.039906 0.142719 0.779463 O\n0.961849 0.642202 0.222103 O\n0.538067 0.642193 0.722194 O\n0.461690 0.142250 0.277684 O\n0.032755 0.382488 0.011712 O\n0.967103 0.882418 0.988458 O\n0.532297 0.882111 0.488079 O\n0.467340 0.382445 0.511546 O\n0.301546 0.281652 0.902715 O\n0.698668 0.781426 0.097464 O\n0.800870 0.780748 0.597348 O\n0.197860 0.282000 0.402567 O\n0.810451 0.485834 0.612756 O\n0.189003 0.985809 0.387177 O\n0.310170 0.985609 0.887652 O\n0.689793 0.485849 0.112695 O\n0.958176 0.888517 0.775800 O\n0.041968 0.388811 0.224598 O\n0.458214 0.388871 0.724679 O\n0.541883 0.888643 0.275199 O\n",
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{
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{
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"structure_string": "Mg8 Co48 As28\n1.0\n3.655295 0.000000 0.000000\n0.000000 12.023182 0.000000\n0.000000 0.000000 24.880853\nMg Co As\n8 48 28\ndirect\n0.750000 0.310213 0.884410 Mg\n0.250000 0.189787 0.384410 Mg\n0.250000 0.689787 0.115590 Mg\n0.250000 0.713603 0.820987 Mg\n0.750000 0.810213 0.615590 Mg\n0.750000 0.286397 0.179013 Mg\n0.750000 0.786397 0.320987 Mg\n0.250000 0.213603 0.679013 Mg\n0.750000 0.792115 0.188027 Co\n0.250000 0.474136 0.185869 Co\n0.250000 0.669985 0.239216 Co\n0.250000 0.991846 0.608518 Co\n0.750000 0.292115 0.311973 Co\n0.750000 0.501807 0.270530 Co\n0.250000 0.974136 0.314131 Co\n0.250000 0.440078 0.622244 Co\n0.750000 0.330015 0.760784 Co\n0.250000 0.673244 0.959697 Co\n0.250000 0.194268 0.090700 Co\n0.250000 0.498194 0.729470 Co\n0.750000 0.326756 0.040303 Co\n0.750000 0.514579 0.543759 Co\n0.750000 0.001806 0.229470 Co\n0.750000 0.559922 0.377756 Co\n0.250000 0.173244 0.540303 Co\n0.250000 0.940078 0.877756 Co\n0.750000 0.080188 0.848856 Co\n0.250000 0.687123 0.514211 Co\n0.750000 0.014579 0.956241 Co\n0.750000 0.525864 0.814131 Co\n0.750000 0.312877 0.485789 Co\n0.750000 0.812877 0.014211 Co\n0.750000 0.059922 0.122244 Co\n0.750000 0.805732 0.909300 Co\n0.250000 0.510605 0.036192 Co\n0.750000 0.830015 0.739216 Co\n0.250000 0.187123 0.985789 Co\n0.250000 0.485421 0.456241 Co\n0.750000 0.008154 0.391482 Co\n0.250000 0.491846 0.891482 Co\n0.250000 0.010605 0.463808 Co\n0.250000 0.419812 0.348856 Co\n0.750000 0.508154 0.108518 Co\n0.250000 0.169985 0.260784 Co\n0.750000 0.580188 0.651144 Co\n0.750000 0.025864 0.685869 Co\n0.250000 0.985421 0.043759 Co\n0.250000 0.998193 0.770530 Co\n0.250000 0.919812 0.151144 Co\n0.250000 0.207885 0.811973 Co\n0.750000 0.489395 0.963808 Co\n0.750000 0.826756 0.459697 Co\n0.250000 0.707885 0.688027 Co\n0.250000 0.694268 0.409300 Co\n0.750000 0.305732 0.590700 Co\n0.750000 0.989395 0.536192 Co\n0.750000 0.127044 0.470038 As\n0.750000 0.627044 0.029962 As\n0.750000 0.894149 0.824736 As\n0.250000 0.373096 0.535812 As\n0.250000 0.105851 0.175264 As\n0.250000 0.872956 0.529962 As\n0.250000 0.861888 0.239694 As\n0.750000 0.100397 0.310391 As\n0.750000 0.118951 0.604004 As\n0.250000 0.372956 0.970038 As\n0.250000 0.881049 0.395996 As\n0.750000 0.374233 0.400488 As\n0.750000 0.138112 0.760306 As\n0.250000 0.873096 0.964188 As\n0.250000 0.125767 0.900488 As\n0.750000 0.394149 0.675264 As\n0.750000 0.626904 0.464188 As\n0.250000 0.381049 0.104004 As\n0.250000 0.625767 0.599512 As\n0.250000 0.899603 0.689609 As\n0.750000 0.618951 0.895996 As\n0.250000 0.361888 0.260306 As\n0.750000 0.874233 0.099512 As\n0.250000 0.399603 0.810391 As\n0.750000 0.600397 0.189609 As\n0.750000 0.638112 0.739694 As\n0.250000 0.605851 0.324736 As\n0.750000 0.126904 0.035812 As\n",
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"elements": [
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{
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{
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{
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{
"id": "mp-1333766",
"created_at": "2022-09-04T14:41:21.181550Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n-8.420934 0.000000 0.000000\n4.061425 7.942536 0.000000\n-0.091867 -4.333027 -14.122007\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.254259 0.520622 0.331323 Li\n0.798296 0.717279 0.135526 Li\n0.294845 0.216171 0.632650 Li\n0.727033 0.387884 0.462745 Li\n0.224582 0.891166 0.961812 Li\n0.756588 0.016445 0.833509 Li\n0.248903 0.983831 0.169109 Li\n0.774747 0.106075 0.038776 Li\n0.277046 0.611628 0.537682 Li\n0.698070 0.783509 0.364340 Li\n0.201853 0.279325 0.867766 Li\n0.741502 0.483051 0.665236 Li\n0.218358 0.361939 0.077932 Mn\n0.283445 0.138751 0.424062 Mn\n0.719778 0.865085 0.574399 Mn\n0.520647 0.869264 0.174281 Mn\n0.977797 0.631647 0.325171 V\n0.476033 0.123995 0.825543 V\n0.779444 0.632010 0.925149 V\n0.023955 0.373822 0.673823 V\n0.083177 0.625951 0.123098 P\n0.023866 0.270266 0.479751 P\n0.523160 0.475994 0.274763 P\n0.020509 0.977557 0.770225 P\n0.588386 0.123692 0.627696 P\n0.519637 0.763725 0.980378 P\n0.479151 0.233593 0.017720 P\n0.412184 0.877085 0.375230 P\n0.978880 0.023262 0.228534 P\n0.477339 0.518066 0.731269 P\n0.980316 0.736458 0.518849 P\n0.912386 0.372478 0.871812 P\n0.251499 0.800458 0.101023 O\n0.064073 0.573514 0.229703 O\n0.625519 0.826043 0.071542 O\n0.118329 0.325852 0.576828 O\n0.480493 0.628540 0.276723 O\n0.091099 0.479050 0.096218 O\n0.184525 0.302056 0.432493 O\n0.724286 0.552597 0.258136 O\n0.221088 0.050939 0.755781 O\n0.503013 0.355543 0.377253 O\n0.401139 0.384128 0.199446 O\n0.765254 0.295973 0.606234 O\n0.920403 0.666007 0.058803 O\n0.432517 0.172103 0.569801 O\n0.105136 0.117955 0.301811 O\n0.574306 0.068755 0.735681 O\n0.932652 0.394711 0.417708 O\n0.425933 0.886356 0.916986 O\n0.004567 0.140299 0.124630 O\n0.612020 0.426493 0.996688 O\n0.116976 0.922597 0.502739 O\n0.978367 0.134342 0.769193 O\n0.323257 0.205758 0.066352 O\n0.407575 0.019963 0.408120 O\n0.594999 0.977815 0.598728 O\n0.672258 0.788144 0.927725 O\n0.021773 0.866536 0.228651 O\n0.887808 0.084389 0.495952 O\n0.382068 0.576954 0.998617 O\n0.993885 0.858594 0.873067 O\n0.580477 0.121711 0.078763 O\n0.071129 0.611411 0.582989 O\n0.426809 0.932916 0.269371 O\n0.896214 0.883534 0.696371 O\n0.567322 0.826548 0.436743 O\n0.068941 0.328480 0.931307 O\n0.234882 0.703843 0.395965 O\n0.609440 0.611508 0.806468 O\n0.498766 0.634773 0.629886 O\n0.782151 0.950135 0.244208 O\n0.279127 0.446161 0.749026 O\n0.821484 0.706082 0.567877 O\n0.898909 0.518371 0.900648 O\n0.521755 0.362501 0.733324 O\n0.883630 0.678288 0.423975 O\n0.382793 0.176662 0.921849 O\n0.926543 0.431279 0.764529 O\n0.736636 0.201710 0.893906 O\n",
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"elements": [
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"formula_full": "Li12 Mn4 V4 P12 O48",
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{
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"structure_string": "Li4 Mn3 O1 F11\n1.0\n5.780169 0.000000 0.000000\n-0.807074 6.065084 0.000000\n-0.910250 -1.050054 6.003478\nLi Mn O F\n4 3 1 11\ndirect\n0.990261 0.996964 0.021998 Li\n0.122043 0.602236 0.326375 Li\n0.293238 0.094005 0.607253 Li\n0.418320 0.727921 0.862967 Li\n0.595759 0.363161 0.151178 Mn\n0.712941 0.865370 0.405697 Mn\n0.896779 0.418052 0.682871 Mn\n0.775771 0.571608 0.406491 O\n0.903375 0.297072 0.111779 F\n0.688109 0.845118 0.076891 F\n0.352290 0.542677 0.147111 F\n0.899423 0.102242 0.712339 F\n0.593564 0.151929 0.396924 F\n0.460245 0.817294 0.579858 F\n0.064764 0.925159 0.352106 F\n0.625100 0.449338 0.804331 F\n0.170996 0.391219 0.562330 F\n0.374848 0.128902 0.952623 F\n0.062172 0.709732 0.838877 F\n",
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]
}