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{
"id": "mp-1209137",
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"structure_string": "Si1 H14 C4 S2 N8 F6\n1.0\n7.242460 0.440909 0.590565\n3.718260 7.283104 0.620542\n-0.178653 -0.132329 8.038492\nSi H C S N F\n1 14 4 2 8 6\ndirect\n0.500000 0.500000 0.000000 Si\n0.874490 0.360992 0.227328 H\n0.125510 0.639008 0.772672 H\n0.224415 0.573903 0.358999 H\n0.775585 0.426097 0.641001 H\n0.659403 0.038119 0.625189 H\n0.340597 0.961881 0.374811 H\n0.219878 0.027830 0.948351 H\n0.780122 0.972170 0.051649 H\n0.307779 0.503747 0.565314 H\n0.692221 0.496253 0.434686 H\n0.419857 0.852146 0.174671 H\n0.580143 0.147854 0.825329 H\n0.984891 0.247624 0.974499 H\n0.015109 0.752376 0.025501 H\n0.158080 0.117463 0.185112 C\n0.841920 0.882537 0.814888 C\n0.005804 0.735538 0.540646 C\n0.994196 0.264462 0.459354 C\n0.182914 0.112689 0.589278 S\n0.817086 0.887311 0.410722 S\n0.670851 0.032703 0.753249 N\n0.329149 0.967297 0.246751 N\n0.192831 0.590226 0.484396 N\n0.807169 0.409774 0.515604 N\n0.010346 0.259097 0.286341 N\n0.989654 0.740903 0.713659 N\n0.123587 0.139102 0.022789 N\n0.876413 0.860898 0.977211 N\n0.265227 0.562666 0.112640 F\n0.734773 0.437334 0.887360 F\n0.593696 0.266767 0.050295 F\n0.406304 0.733233 0.949705 F\n0.610489 0.523857 0.177254 F\n0.389511 0.476143 0.822746 F\n",
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"spacegroup": 2
},
{
"id": "mp-605302",
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"structure_string": "Dy4 H24 C24 Cl12 O36 F24\n1.0\n19.487692 0.000000 0.000000\n0.000000 9.471939 0.000000\n0.000000 4.353143 9.631359\nDy H C Cl O F\n4 24 24 12 36 24\ndirect\n0.425989 0.702832 0.468040 Dy\n0.925989 0.297168 0.031960 Dy\n0.574011 0.297168 0.531960 Dy\n0.074011 0.702832 0.968040 Dy\n0.284240 0.680479 0.574001 H\n0.784240 0.319521 0.925999 H\n0.715760 0.319521 0.425999 H\n0.215760 0.680479 0.074001 H\n0.285065 0.545938 0.516634 H\n0.785065 0.454062 0.983366 H\n0.714935 0.454062 0.483366 H\n0.214935 0.545938 0.016634 H\n0.386192 0.902664 0.170604 H\n0.886192 0.097336 0.329396 H\n0.613808 0.097336 0.829396 H\n0.113808 0.902664 0.670604 H\n0.315740 0.815720 0.231051 H\n0.815740 0.184280 0.268949 H\n0.684260 0.184280 0.768949 H\n0.184260 0.815720 0.731051 H\n0.440410 0.056995 0.372637 H\n0.940410 0.943005 0.127363 H\n0.559590 0.943005 0.627363 H\n0.059590 0.056995 0.872637 H\n0.512177 0.989893 0.362176 H\n0.012177 0.010107 0.137824 H\n0.487823 0.010107 0.637824 H\n0.987823 0.989893 0.862176 H\n0.584647 0.639248 0.589097 C\n0.084647 0.360752 0.910903 C\n0.415353 0.360752 0.410903 C\n0.915353 0.639248 0.089097 C\n0.650570 0.675093 0.653925 C\n0.150570 0.324907 0.846075 C\n0.349430 0.324907 0.346075 C\n0.849430 0.675093 0.153925 C\n0.458352 0.363402 0.748786 C\n0.958352 0.636598 0.751214 C\n0.541648 0.636598 0.251214 C\n0.041648 0.363402 0.248786 C\n0.439858 0.281634 0.906506 C\n0.939858 0.718366 0.593494 C\n0.560142 0.718366 0.093494 C\n0.060142 0.281634 0.406506 C\n0.328830 0.841626 0.664102 C\n0.828830 0.158374 0.835898 C\n0.671170 0.158374 0.335898 C\n0.171170 0.841626 0.164102 C\n0.335713 0.938085 0.752732 C\n0.835713 0.061915 0.747268 C\n0.664287 0.061915 0.247268 C\n0.164287 0.938085 0.252732 C\n0.655682 0.549817 0.832021 Cl\n0.155682 0.450183 0.667979 Cl\n0.344318 0.450183 0.167979 Cl\n0.844318 0.549817 0.332021 Cl\n0.349750 0.257625 0.928232 Cl\n0.849750 0.742375 0.571768 Cl\n0.650250 0.742375 0.071768 Cl\n0.150250 0.257625 0.428232 Cl\n0.362401 0.816308 0.923356 Cl\n0.862401 0.183692 0.576644 Cl\n0.637599 0.183692 0.076644 Cl\n0.137599 0.816308 0.423356 Cl\n0.535283 0.731775 0.566449 O\n0.035283 0.268225 0.933551 O\n0.464717 0.268225 0.433551 O\n0.964717 0.731775 0.066449 O\n0.411074 0.481390 0.432156 O\n0.911074 0.518610 0.067844 O\n0.588926 0.518610 0.567844 O\n0.088926 0.481390 0.932156 O\n0.435884 0.499633 0.688474 O\n0.935884 0.500367 0.811526 O\n0.564116 0.500367 0.311526 O\n0.064116 0.499633 0.188474 O\n0.506732 0.715157 0.298943 O\n0.006732 0.284843 0.201057 O\n0.493268 0.284843 0.701057 O\n0.993268 0.715157 0.798943 O\n0.382503 0.833589 0.600049 O\n0.882503 0.166411 0.899951 O\n0.617497 0.166411 0.399951 O\n0.117497 0.833589 0.100049 O\n0.271029 0.780574 0.667191 O\n0.771029 0.219426 0.832809 O\n0.728971 0.219426 0.332809 O\n0.228971 0.780574 0.167191 O\n0.307754 0.639406 0.511080 O\n0.807754 0.360594 0.988920 O\n0.692246 0.360594 0.488920 O\n0.192246 0.639406 0.011080 O\n0.364796 0.823051 0.251815 O\n0.864796 0.176949 0.248185 O\n0.635204 0.176949 0.748185 O\n0.135204 0.823051 0.751815 O\n0.463032 0.974001 0.356104 O\n0.963032 0.025999 0.143896 O\n0.536968 0.025999 0.643896 O\n0.036968 0.974001 0.856104 O\n0.707321 0.655985 0.585893 F\n0.207321 0.344015 0.914107 F\n0.292679 0.344015 0.414107 F\n0.792679 0.655985 0.085893 F\n0.652226 0.825397 0.640272 F\n0.152226 0.174603 0.859728 F\n0.347774 0.174603 0.359728 F\n0.847774 0.825397 0.140272 F\n0.469992 0.139688 0.969092 F\n0.969992 0.860312 0.530908 F\n0.530008 0.860312 0.030908 F\n0.030008 0.139688 0.469092 F\n0.463142 0.368943 0.973553 F\n0.963142 0.631057 0.526447 F\n0.536858 0.631057 0.026447 F\n0.036858 0.368943 0.473553 F\n0.275064 0.007493 0.757886 F\n0.775064 0.992507 0.742114 F\n0.724936 0.992507 0.242114 F\n0.224936 0.007493 0.257886 F\n0.382951 0.055022 0.695874 F\n0.882951 0.944978 0.804126 F\n0.617049 0.944978 0.304126 F\n0.117049 0.055022 0.195874 F\n",
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"volume": 1777.8162463806084,
"volume_molar": 8.634080387999084,
"formula_full": "Dy4 H24 C24 Cl12 O36 F24",
"formula_reduced": "DyH6C6Cl3(O3F2)3",
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"energy": -772.41392528,
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"updated_at": "2021-11-28T01:39:15.248000Z",
"spacegroup": 14
},
{
"id": "mp-699455",
"created_at": "2022-09-04T14:39:05.271750Z",
"structure_string": "Al6 P6 H18 C6 N2 O28\n1.0\n6.319435 6.580156 0.000000\n-6.319435 6.580156 0.000000\n0.000000 0.891977 8.735771\nAl P H C N O\n6 6 18 6 2 28\ndirect\n0.601742 0.562238 0.707547 Al\n0.562238 0.601742 0.207547 Al\n0.081744 0.815830 0.918589 Al\n0.815830 0.081744 0.418589 Al\n0.109760 0.326011 0.908343 Al\n0.326011 0.109760 0.408343 Al\n0.840318 0.561783 0.958179 P\n0.561783 0.840318 0.458179 P\n0.330226 0.578500 0.957421 P\n0.578500 0.330226 0.457421 P\n0.053789 0.080560 0.675923 P\n0.080560 0.053789 0.175923 P\n0.691673 0.923359 0.844845 H\n0.923359 0.691673 0.344845 H\n0.503724 0.877826 0.894987 H\n0.877826 0.503724 0.394987 H\n0.952176 0.401271 0.609290 H\n0.401271 0.952176 0.109290 H\n0.783326 0.144437 0.934441 H\n0.633120 0.271935 0.907609 H\n0.220467 0.686668 0.596448 H\n0.144437 0.783326 0.434441 H\n0.271935 0.633120 0.407609 H\n0.686668 0.220467 0.096448 H\n0.545252 0.032098 0.764762 H\n0.032098 0.545252 0.264762 H\n0.377570 0.328156 0.806865 H\n0.328156 0.377570 0.306865 H\n0.305577 0.200184 0.727466 H\n0.200184 0.305577 0.227466 H\n0.579213 0.967871 0.867924 C\n0.967871 0.579213 0.367924 C\n0.675612 0.181411 0.983485 C\n0.181411 0.675612 0.483485 C\n0.044210 0.474818 0.612344 C\n0.474818 0.044210 0.112344 C\n0.574803 0.060709 0.996319 N\n0.060709 0.574803 0.496319 N\n0.935428 0.697827 0.953785 O\n0.697827 0.935428 0.453785 O\n0.931487 0.419417 0.974842 O\n0.758781 0.569703 0.808295 O\n0.419417 0.931487 0.474842 O\n0.569703 0.758781 0.308295 O\n0.572423 0.724233 0.594991 O\n0.724233 0.572423 0.094991 O\n0.621620 0.409968 0.596122 O\n0.925026 0.094768 0.570769 O\n0.252253 0.718782 0.889877 O\n0.448081 0.521193 0.835855 O\n0.053350 0.921449 0.749870 O\n0.409968 0.621620 0.096122 O\n0.094768 0.925026 0.070769 O\n0.718782 0.252253 0.389877 O\n0.521193 0.448081 0.335855 O\n0.921449 0.053350 0.249870 O\n0.456389 0.224029 0.506270 O\n0.224029 0.456389 0.006270 O\n0.310111 0.246297 0.826147 O\n0.246297 0.310111 0.326147 O\n0.202881 0.109647 0.587885 O\n0.109647 0.202881 0.087885 O\n0.024777 0.190181 0.799453 O\n0.190181 0.024777 0.299453 O\n0.127457 0.462730 0.722787 O\n0.462730 0.127457 0.222787 O\n",
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},
{
"id": "mp-557494",
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"structure_string": "Ag4 B4 Te16 C8 O24 F80\n1.0\n10.574891 0.000000 0.000000\n0.200038 13.470200 0.000000\n3.943959 0.611021 16.487255\nAg B Te C O F\n4 4 16 8 24 80\ndirect\n0.000000 0.000000 0.500000 Ag\n0.788373 0.739221 0.941481 Ag\n0.500000 0.500000 0.500000 Ag\n0.211627 0.260779 0.058519 Ag\n0.051892 0.499181 0.749365 B\n0.427131 0.969815 0.260538 B\n0.572869 0.030185 0.739462 B\n0.948108 0.500819 0.250635 B\n0.207415 0.552434 0.137448 Te\n0.451651 0.173986 0.323441 Te\n0.792585 0.447566 0.862552 Te\n0.280669 0.482859 0.829006 Te\n0.114946 0.373378 0.599340 Te\n0.719331 0.517141 0.170994 Te\n0.634270 0.178479 0.595392 Te\n0.885054 0.626622 0.400660 Te\n0.309932 0.071049 0.850946 Te\n0.365730 0.821521 0.404608 Te\n0.548349 0.826014 0.676559 Te\n0.690068 0.928951 0.149054 Te\n0.789641 0.053292 0.829442 Te\n0.025248 0.713145 0.689951 Te\n0.974752 0.286855 0.310049 Te\n0.210359 0.946708 0.170558 Te\n0.416505 0.497785 0.399613 C\n0.589460 0.735719 0.940262 C\n0.111523 0.037874 0.581037 C\n0.888477 0.962126 0.418963 C\n0.583495 0.502215 0.600387 C\n0.410540 0.264281 0.059738 C\n0.018921 0.230168 0.054114 C\n0.981079 0.769832 0.945886 C\n0.369468 0.498846 0.345883 O\n0.482859 0.738494 0.938261 O\n0.358906 0.941067 0.344861 O\n0.437591 0.068061 0.753089 O\n0.078675 0.545832 0.234799 O\n0.117114 0.483432 0.663730 O\n0.916363 0.209124 0.051662 O\n0.172298 0.055849 0.625577 O\n0.629414 0.074496 0.801816 O\n0.880423 0.549268 0.192026 O\n0.630532 0.501154 0.654117 O\n0.119577 0.450732 0.807974 O\n0.370586 0.925504 0.198184 O\n0.827702 0.944151 0.374423 O\n0.416524 0.079300 0.252375 O\n0.049474 0.608031 0.761639 O\n0.921325 0.454168 0.765201 O\n0.562409 0.931939 0.246911 O\n0.517141 0.261506 0.061739 O\n0.583476 0.920700 0.747625 O\n0.083637 0.790876 0.948338 O\n0.641094 0.058933 0.655139 O\n0.882886 0.516568 0.336270 O\n0.950526 0.391969 0.238361 O\n0.209384 0.587691 0.895739 F\n0.343461 0.558687 0.043714 F\n0.880764 0.529158 0.920928 F\n0.873859 0.754455 0.765086 F\n0.216500 0.967852 0.820296 F\n0.881593 0.201854 0.259665 F\n0.388374 0.792755 0.746464 F\n0.309114 0.630532 0.186888 F\n0.392291 0.978721 0.908957 F\n0.126141 0.245545 0.234914 F\n0.334154 0.571973 0.739191 F\n0.734807 0.931043 0.885711 F\n0.811584 0.201556 0.589803 F\n0.611626 0.207245 0.253536 F\n0.711065 0.564257 0.832693 F\n0.656539 0.441313 0.956286 F\n0.188416 0.798444 0.410197 F\n0.372598 0.272470 0.269555 F\n0.843541 0.542275 0.493952 F\n0.665846 0.428027 0.260809 F\n0.790616 0.412309 0.104261 F\n0.288935 0.435743 0.167307 F\n0.175400 0.077906 0.946121 F\n0.131962 0.016193 0.264316 F\n0.539075 0.836180 0.411235 F\n0.054978 0.967294 0.136481 F\n0.878426 0.733412 0.469785 F\n0.783500 0.032148 0.179704 F\n0.061935 0.614167 0.399886 F\n0.156459 0.457725 0.506048 F\n0.265193 0.068957 0.114289 F\n0.536878 0.086253 0.383080 F\n0.481656 0.274651 0.391103 F\n0.518344 0.725349 0.608897 F\n0.922609 0.640746 0.636040 F\n0.273328 0.878776 0.074974 F\n0.823561 0.312674 0.389426 F\n0.860719 0.171300 0.776331 F\n0.000537 0.176165 0.376792 F\n0.244271 0.392466 0.919355 F\n0.945022 0.032706 0.863519 F\n0.755729 0.607534 0.080645 F\n0.121574 0.266588 0.530215 F\n0.690886 0.369468 0.813112 F\n0.938065 0.385833 0.600114 F\n0.365320 0.703226 0.468238 F\n0.296418 0.355194 0.587045 F\n0.586083 0.258954 0.685621 F\n0.463122 0.913747 0.616920 F\n0.413917 0.741046 0.314379 F\n0.460925 0.163820 0.588765 F\n0.707473 0.847586 0.600544 F\n0.627402 0.727530 0.730445 F\n0.136679 0.665751 0.095504 F\n0.613345 0.823948 0.106072 F\n0.118407 0.798146 0.740335 F\n0.310068 0.889857 0.501392 F\n0.999463 0.823835 0.623208 F\n0.083121 0.278699 0.685654 F\n0.689932 0.110143 0.498608 F\n0.863321 0.334249 0.904496 F\n0.367877 0.380492 0.765454 F\n0.438166 0.508839 0.856973 F\n0.784993 0.835574 0.196764 F\n0.386655 0.176052 0.893928 F\n0.119236 0.470842 0.079072 F\n0.139281 0.828700 0.223669 F\n0.176439 0.687326 0.610574 F\n0.607709 0.021279 0.091043 F\n0.561834 0.491161 0.143027 F\n0.215007 0.164426 0.803236 F\n0.824600 0.922094 0.053879 F\n0.726672 0.121224 0.925026 F\n0.703582 0.644806 0.412955 F\n0.077391 0.359254 0.363960 F\n0.868038 0.983807 0.735684 F\n0.632123 0.619508 0.234546 F\n0.916879 0.721301 0.314346 F\n0.634680 0.296774 0.531762 F\n0.292527 0.152414 0.399456 F\n",
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C\n0.989201 0.607582 0.148275 C\n0.010799 0.107582 0.351725 C\n0.010799 0.392418 0.851725 C\n0.989201 0.892418 0.648275 C\n0.283852 0.089197 0.554377 Cl\n0.716148 0.589197 0.945623 Cl\n0.716148 0.910803 0.445623 Cl\n0.283852 0.410803 0.054377 Cl\n0.973828 0.012338 0.139257 Cl\n0.026172 0.512338 0.360743 Cl\n0.026172 0.987662 0.860743 Cl\n0.973828 0.487662 0.639257 Cl\n",
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"updated_at": "2021-11-28T01:34:23.591000Z",
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},
{
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"formula_full": "V8 Co4 H16 C16 N8 O24",
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"updated_at": "2021-11-28T01:40:02.974000Z",
"spacegroup": 52
}
]
}