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{
"id": "mp-557822",
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"structure_string": "H48 Pb4 C16 S16 N8 O32\n1.0\n9.163684 0.000000 0.000000\n0.000000 7.876318 0.000000\n0.000000 6.587961 20.425489\nH Pb C S N O\n48 4 16 16 8 32\ndirect\n0.459776 0.464527 0.233991 H\n0.253854 0.545400 0.398189 H\n0.215950 0.320253 0.397127 H\n0.959776 0.535473 0.266009 H\n0.155356 0.057334 0.678362 H\n0.087141 0.436078 0.433320 H\n0.424092 0.060004 0.714233 H\n0.030265 0.862863 0.329515 H\n0.075908 0.060004 0.214233 H\n0.530265 0.137137 0.170485 H\n0.882199 0.606226 0.729043 H\n0.950434 0.797316 0.868634 H\n0.715950 0.679747 0.102873 H\n0.450434 0.202684 0.631366 H\n0.382263 0.291143 0.139305 H\n0.882263 0.708857 0.360695 H\n0.575908 0.939996 0.285767 H\n0.595053 0.175341 0.691514 H\n0.284050 0.320253 0.897127 H\n0.049566 0.202684 0.131366 H\n0.617737 0.708857 0.860695 H\n0.382199 0.393774 0.770957 H\n0.344644 0.057334 0.178362 H\n0.246146 0.545400 0.898189 H\n0.924092 0.939996 0.785767 H\n0.995774 0.438051 0.202047 H\n0.549566 0.797316 0.368634 H\n0.117801 0.393774 0.270957 H\n0.117737 0.291143 0.639305 H\n0.746146 0.454600 0.601811 H\n0.540224 0.535473 0.766009 H\n0.969735 0.137137 0.670485 H\n0.844644 0.942666 0.321638 H\n0.655356 0.942666 0.821638 H\n0.412859 0.436078 0.933320 H\n0.040224 0.464527 0.733991 H\n0.617801 0.606226 0.229043 H\n0.469735 0.862863 0.829515 H\n0.004226 0.561949 0.797953 H\n0.904947 0.175341 0.191514 H\n0.587141 0.563922 0.066680 H\n0.504226 0.438051 0.702047 H\n0.753854 0.454600 0.101811 H\n0.912859 0.563922 0.566680 H\n0.095053 0.824659 0.808486 H\n0.495774 0.561949 0.297953 H\n0.784050 0.679747 0.602873 H\n0.404947 0.824659 0.308486 H\n0.283294 0.808124 0.535605 Pb\n0.783294 0.191876 0.964395 Pb\n0.216706 0.808124 0.035605 Pb\n0.716706 0.191876 0.464395 Pb\n0.202517 0.417295 0.423915 C\n0.496823 0.888439 0.325407 C\n0.544699 0.507789 0.261602 C\n0.921533 0.845614 0.351999 C\n0.421533 0.154386 0.148001 C\n0.044699 0.492211 0.238398 C\n0.503177 0.111561 0.674593 C\n0.578467 0.845614 0.851999 C\n0.797483 0.582705 0.576085 C\n0.078467 0.154386 0.648001 C\n0.297483 0.417295 0.923915 C\n0.455301 0.492211 0.738398 C\n0.702517 0.582705 0.076085 C\n0.003177 0.888439 0.825407 C\n0.955301 0.507789 0.761602 C\n0.996823 0.111561 0.174593 C\n0.653851 0.321997 0.303417 S\n0.077368 0.071102 0.847333 S\n0.291239 0.331474 0.500775 S\n0.153851 0.678003 0.196583 S\n0.560910 0.886816 0.928431 S\n0.708761 0.668526 0.499225 S\n0.439090 0.113184 0.071569 S\n0.939090 0.886816 0.428431 S\n0.422632 0.071102 0.347333 S\n0.346149 0.678003 0.696583 S\n0.060910 0.113184 0.571569 S\n0.208761 0.331474 0.000775 S\n0.791239 0.668526 0.999225 S\n0.577368 0.928898 0.652667 S\n0.922632 0.928898 0.152667 S\n0.846149 0.321997 0.803417 S\n0.941568 0.186613 0.861029 N\n0.280172 0.138613 0.036935 N\n0.441568 0.813387 0.638971 N\n0.780172 0.861387 0.463065 N\n0.058432 0.813387 0.138971 N\n0.558432 0.186613 0.361029 N\n0.719828 0.861387 0.963065 N\n0.219828 0.138613 0.536935 N\n0.048740 0.760721 0.465859 O\n0.451260 0.760721 0.965859 O\n0.235851 0.613548 0.659219 O\n0.442972 0.296697 0.488680 O\n0.233999 0.455820 0.038291 O\n0.667958 0.825957 0.706775 O\n0.951260 0.239279 0.534141 O\n0.030704 0.923310 0.584153 O\n0.764149 0.386452 0.340781 O\n0.735851 0.386452 0.840781 O\n0.291646 0.757741 0.745037 O\n0.766001 0.544180 0.961709 O\n0.349987 0.997085 0.410505 O\n0.167958 0.174043 0.793225 O\n0.557028 0.703303 0.511320 O\n0.733999 0.544180 0.461709 O\n0.708354 0.242259 0.254963 O\n0.332042 0.174043 0.293225 O\n0.530704 0.076690 0.915847 O\n0.469296 0.923310 0.084153 O\n0.942972 0.703303 0.011320 O\n0.057028 0.296697 0.988680 O\n0.849987 0.002915 0.089495 O\n0.264149 0.613548 0.159219 O\n0.266001 0.455820 0.538291 O\n0.150013 0.997085 0.910505 O\n0.791646 0.242259 0.754963 O\n0.548740 0.239279 0.034141 O\n0.208354 0.757741 0.245037 O\n0.969296 0.076690 0.415847 O\n0.650013 0.002915 0.589495 O\n0.832042 0.825957 0.206775 O\n",
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"formula_full": "H48 Pb4 C16 S16 N8 O32",
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"updated_at": "2021-11-28T01:36:48.164000Z",
"spacegroup": 14
},
{
"id": "mp-707824",
"created_at": "2022-09-04T14:47:56.632124Z",
"structure_string": "Gd2 H36 C6 S6 O36 F18\n1.0\n6.946762 -12.032144 0.000000\n6.946762 12.032144 0.000000\n0.000000 0.000000 7.539342\nGd H C S O F\n2 36 6 6 36 18\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n0.099823 0.647748 0.355209 H\n0.547925 0.900177 0.355209 H\n0.352252 0.452075 0.355209 H\n0.900177 0.352252 0.855209 H\n0.452075 0.099823 0.855209 H\n0.647748 0.547925 0.855209 H\n0.900177 0.352252 0.644791 H\n0.452075 0.099823 0.644791 H\n0.647748 0.547925 0.644791 H\n0.099823 0.647748 0.144791 H\n0.547925 0.900177 0.144791 H\n0.352252 0.452075 0.144791 H\n0.367335 0.871306 0.040787 H\n0.503971 0.632665 0.040787 H\n0.128694 0.496029 0.040787 H\n0.632665 0.128694 0.540787 H\n0.496029 0.367335 0.540787 H\n0.871306 0.503971 0.540787 H\n0.632665 0.128694 0.959213 H\n0.496029 0.367335 0.959213 H\n0.871306 0.503971 0.959213 H\n0.367335 0.871306 0.459213 H\n0.503971 0.632665 0.459213 H\n0.128694 0.496029 0.459213 H\n0.280285 0.767632 0.930500 H\n0.487347 0.719715 0.930500 H\n0.232368 0.512653 0.930500 H\n0.719715 0.232368 0.430500 H\n0.512653 0.280285 0.430500 H\n0.767632 0.487347 0.430500 H\n0.719715 0.232368 0.069500 H\n0.512653 0.280285 0.069500 H\n0.767632 0.487347 0.069500 H\n0.280285 0.767632 0.569500 H\n0.487347 0.719715 0.569500 H\n0.232368 0.512653 0.569500 H\n0.019066 0.786731 0.750000 C\n0.767664 0.980934 0.750000 C\n0.213269 0.232336 0.750000 C\n0.980934 0.213269 0.250000 C\n0.232336 0.019066 0.250000 C\n0.786731 0.767664 0.250000 C\n0.065048 0.680512 0.750000 S\n0.615464 0.934952 0.750000 S\n0.319488 0.384536 0.750000 S\n0.934952 0.319488 0.250000 S\n0.384536 0.065048 0.250000 S\n0.680512 0.615464 0.250000 S\n0.145185 0.656629 0.250000 O\n0.511444 0.854815 0.250000 O\n0.343371 0.488556 0.250000 O\n0.854815 0.343371 0.750000 O\n0.488556 0.145185 0.750000 O\n0.656629 0.511444 0.750000 O\n0.341598 0.792501 0.016538 O\n0.450903 0.658402 0.016538 O\n0.207499 0.549097 0.016538 O\n0.658402 0.207499 0.516538 O\n0.549097 0.341598 0.516538 O\n0.792501 0.450903 0.516538 O\n0.658402 0.207499 0.983462 O\n0.549097 0.341598 0.983462 O\n0.792501 0.450903 0.983462 O\n0.341598 0.792501 0.483462 O\n0.450903 0.658402 0.483462 O\n0.207499 0.549097 0.483462 O\n0.186732 0.746553 0.750000 O\n0.559820 0.813268 0.750000 O\n0.253447 0.440180 0.750000 O\n0.813268 0.253447 0.250000 O\n0.440180 0.186732 0.250000 O\n0.746553 0.559820 0.250000 O\n0.018223 0.617601 0.914127 O\n0.599378 0.981777 0.914127 O\n0.382399 0.400622 0.914127 O\n0.981777 0.382399 0.414127 O\n0.400622 0.018223 0.414127 O\n0.617601 0.599378 0.414127 O\n0.981777 0.382399 0.085873 O\n0.400622 0.018223 0.085873 O\n0.617601 0.599378 0.085873 O\n0.018223 0.617601 0.585873 O\n0.599378 0.981777 0.585873 O\n0.382399 0.400622 0.585873 O\n0.906728 0.734591 0.750000 F\n0.827862 0.093272 0.750000 F\n0.265409 0.172138 0.750000 F\n0.093272 0.265409 0.250000 F\n0.172138 0.906728 0.250000 F\n0.734591 0.827862 0.250000 F\n0.057482 0.851597 0.895707 F\n0.794115 0.942518 0.895707 F\n0.148403 0.205885 0.895707 F\n0.942518 0.148403 0.395707 F\n0.205885 0.057482 0.395707 F\n0.851597 0.794115 0.395707 F\n0.942518 0.148403 0.104293 F\n0.205885 0.057482 0.104293 F\n0.851597 0.794115 0.104293 F\n0.057482 0.851597 0.604293 F\n0.794115 0.942518 0.604293 F\n0.148403 0.205885 0.604293 F\n",
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{
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"structure_string": "Ca4 Al5 Fe1 Si6 H2 O26\n1.0\n5.680030 0.000000 0.000000\n0.000000 8.976313 0.000000\n0.000000 4.388349 9.279069\nCa Al Fe Si H O\n4 5 1 6 2 26\ndirect\n0.500000 0.239811 0.156650 Ca\n0.000000 0.759284 0.846382 Ca\n0.500000 0.390591 0.423011 Ca\n0.000000 0.607983 0.578069 Ca\n0.750149 0.996532 0.001665 Al\n0.249851 0.996532 0.001665 Al\n0.750561 0.000929 0.499560 Al\n0.249439 0.000929 0.499560 Al\n0.000000 0.710911 0.225494 Al\n0.500000 0.290668 0.779152 Fe\n0.000000 0.322406 0.273930 Si\n0.500000 0.685574 0.724531 Si\n0.500000 0.816907 0.315824 Si\n0.000000 0.181385 0.683042 Si\n0.500000 0.660627 0.048799 Si\n0.000000 0.337249 0.953027 Si\n0.000000 0.939477 0.325916 H\n0.500000 0.061330 0.673308 H\n0.500000 0.482346 0.179938 O\n0.000000 0.514844 0.820953 O\n0.737269 0.700627 0.349614 O\n0.231535 0.302326 0.643592 O\n0.768465 0.302326 0.643592 O\n0.262731 0.700627 0.349614 O\n0.746877 0.763219 0.045156 O\n0.244114 0.230785 0.959987 O\n0.755886 0.230785 0.959987 O\n0.253123 0.763219 0.045156 O\n0.000000 0.939796 0.131946 O\n0.500000 0.046221 0.872283 O\n0.000000 0.365834 0.101143 O\n0.500000 0.633068 0.899248 O\n0.000000 0.490382 0.294743 O\n0.500000 0.525534 0.691530 O\n0.500000 0.960346 0.144074 O\n0.000000 0.039833 0.856096 O\n0.500000 0.936688 0.403420 O\n0.000000 0.061697 0.596699 O\n0.000000 0.919224 0.427742 O\n0.500000 0.081875 0.571243 O\n0.765002 0.210379 0.343761 O\n0.262285 0.794260 0.657568 O\n0.737715 0.794260 0.657568 O\n0.234998 0.210379 0.343761 O\n",
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"formula_full": "Ca4 Al5 Fe1 Si6 H2 O26",
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{
"id": "mp-1177389",
"created_at": "2022-09-04T14:45:06.992154Z",
"structure_string": "Li4 Mn3 Cr2 Sn1 P6 O24\n1.0\n8.620503 0.000000 0.000000\n4.091885 7.766609 0.000000\n4.212441 2.615009 7.399593\nLi Mn Cr Sn P O\n4 3 2 1 6 24\ndirect\n0.747237 0.149123 0.350223 Li\n0.296204 0.844484 0.641363 Li\n0.637229 0.307631 0.846391 Li\n0.859892 0.631731 0.318428 Li\n0.152924 0.150887 0.149682 Mn\n0.347254 0.353655 0.348522 Mn\n0.653333 0.657910 0.659651 Mn\n0.014600 0.997901 0.003674 Cr\n0.493795 0.499795 0.500351 Cr\n0.850121 0.846620 0.851198 Sn\n0.243968 0.556475 0.948991 P\n0.572744 0.955894 0.247246 P\n0.924127 0.243282 0.538598 P\n0.063563 0.741558 0.449892 P\n0.435642 0.049113 0.750716 P\n0.747535 0.437016 0.052869 P\n0.100737 0.282662 0.482791 O\n0.287569 0.537543 0.104391 O\n0.066839 0.903547 0.271845 O\n0.579520 0.093141 0.300934 O\n0.014430 0.803640 0.610269 O\n0.254900 0.593106 0.440576 O\n0.248661 0.070049 0.905225 O\n0.448523 0.231307 0.594219 O\n0.161594 0.416861 0.991397 O\n0.602350 0.423865 0.243477 O\n0.103571 0.766725 0.894442 O\n0.418592 0.032307 0.170348 O\n0.595697 0.983555 0.826248 O\n0.901224 0.248148 0.073930 O\n0.409104 0.562822 0.765538 O\n0.810782 0.601075 0.001097 O\n0.567877 0.767925 0.403825 O\n0.775864 0.903452 0.097014 O\n0.745435 0.416172 0.554341 O\n0.926987 0.173511 0.410782 O\n0.458113 0.905315 0.684127 O\n0.886568 0.106130 0.743984 O\n0.678615 0.467017 0.907508 O\n0.916282 0.664051 0.486900 O\n",
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{
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"structure_string": "K2 Mg1 Mn2 P6 H2 O20\n1.0\n7.487719 -0.077870 0.230649\n2.450029 7.024784 0.179048\n2.937872 2.227044 9.453004\nK Mg Mn P H O\n2 1 2 6 2 20\ndirect\n0.419637 0.493485 0.285768 K\n0.570393 0.464135 0.718747 K\n0.764708 0.864435 0.042065 Mg\n0.010828 0.479238 0.986255 Mn\n0.500183 0.990508 0.506681 Mn\n0.274479 0.126653 0.205056 P\n0.159497 0.313316 0.687996 P\n0.122021 0.896653 0.776068 P\n0.870643 0.104571 0.231594 P\n0.827928 0.680805 0.315922 P\n0.740083 0.886717 0.783569 P\n0.996180 0.492275 0.517456 H\n0.455207 0.030292 0.007713 H\n0.085650 0.035665 0.260612 O\n0.973906 0.429769 0.628309 O\n0.234971 0.325443 0.102394 O\n0.098138 0.111394 0.790118 O\n0.345019 0.105628 0.332622 O\n0.182076 0.406627 0.792246 O\n0.337895 0.268623 0.570424 O\n0.065774 0.782751 0.932571 O\n0.433454 0.973558 0.114777 O\n0.722467 0.148641 0.363444 O\n0.313371 0.822016 0.683487 O\n0.654288 0.053302 0.864372 O\n0.863096 0.252618 0.089865 O\n0.646983 0.716497 0.434095 O\n0.797515 0.611813 0.197972 O\n0.650892 0.890897 0.671005 O\n0.851474 0.908147 0.205565 O\n0.758919 0.695630 0.905705 O\n0.016100 0.580404 0.362314 O\n0.959930 0.914639 0.697496 O\n",
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"elements": [
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"formula_full": "Mg2 H48 C12 N24 Cl4 O24",
"formula_reduced": "MgH24C6N12(ClO6)2",
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"updated_at": "2021-11-28T01:38:31.672000Z",
"spacegroup": 14
},
{
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}
]
}