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{
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{
"id": "mp-686310",
"created_at": "2022-09-04T14:43:24.633186Z",
"structure_string": "Ba2 Na4 Al8 Si8 O32\n1.0\n4.327392 9.824126 0.000000\n-4.327392 9.824126 0.000000\n0.000000 5.152417 8.657955\nBa Na Al Si O\n2 4 8 8 32\ndirect\n0.751699 0.246737 0.250051 Ba\n0.246737 0.751699 0.750051 Ba\n0.964206 0.537431 0.822583 Na\n0.537431 0.964206 0.322583 Na\n0.462994 0.037649 0.675188 Na\n0.037649 0.462994 0.175188 Na\n0.733548 0.084692 0.652668 Al\n0.587566 0.228560 0.028755 Al\n0.685844 0.625190 0.647957 Al\n0.625190 0.685844 0.147957 Al\n0.228560 0.587566 0.528755 Al\n0.084692 0.733548 0.152668 Al\n0.187928 0.125572 0.038626 Al\n0.125572 0.187928 0.538626 Al\n0.862421 0.821184 0.466008 Si\n0.821184 0.862421 0.966008 Si\n0.919511 0.262719 0.853248 Si\n0.762174 0.419732 0.464689 Si\n0.362516 0.323421 0.847647 Si\n0.323421 0.362516 0.347647 Si\n0.419732 0.762174 0.964689 Si\n0.262719 0.919511 0.353248 Si\n0.930516 0.873517 0.278025 O\n0.873517 0.930516 0.778025 O\n0.000353 0.239749 0.974284 O\n0.751169 0.995588 0.528832 O\n0.954576 0.359693 0.447511 O\n0.663764 0.015293 0.054667 O\n0.753145 0.254705 0.529698 O\n0.758488 0.247008 0.961288 O\n0.853143 0.458124 0.743699 O\n0.520014 0.162098 0.764292 O\n0.740590 0.500201 0.285330 O\n0.502836 0.244989 0.224049 O\n0.783495 0.721990 0.004188 O\n0.619817 0.562690 0.572024 O\n0.721990 0.783495 0.504188 O\n0.431641 0.374714 0.915494 O\n0.562690 0.619817 0.072024 O\n0.374714 0.431641 0.415494 O\n0.500201 0.740590 0.785330 O\n0.244989 0.502836 0.724049 O\n0.458124 0.853143 0.243699 O\n0.162098 0.520014 0.264292 O\n0.254705 0.753145 0.029698 O\n0.247008 0.758488 0.461288 O\n0.359693 0.954576 0.947511 O\n0.015293 0.663764 0.554667 O\n0.239749 0.000353 0.474284 O\n0.995588 0.751169 0.028832 O\n0.283925 0.224027 0.488187 O\n0.121143 0.064220 0.242766 O\n0.224027 0.283925 0.988187 O\n0.064220 0.121143 0.742766 O\n",
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"formula_full": "Ba2 Na4 Al8 Si8 O32",
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"updated_at": "2021-11-28T01:36:18.352000Z",
"spacegroup": 9
},
{
"id": "mp-542417",
"created_at": "2022-09-04T14:43:21.957868Z",
"structure_string": "Cs4 Mg2 H24 S4 O28\n1.0\n12.970043 0.000000 0.000000\n0.000000 6.421304 0.000000\n0.000000 2.693845 8.999787\nCs Mg H S O\n4 2 24 4 28\ndirect\n0.356861 0.648238 0.127066 Cs\n0.856861 0.351762 0.372934 Cs\n0.643139 0.351762 0.872934 Cs\n0.143139 0.648238 0.627066 Cs\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.099962 0.682330 0.212894 H\n0.599962 0.317670 0.287106 H\n0.900038 0.317670 0.787106 H\n0.400038 0.682330 0.712894 H\n0.130902 0.915744 0.235119 H\n0.630902 0.084256 0.264881 H\n0.869098 0.084256 0.764881 H\n0.369098 0.915744 0.735119 H\n0.097219 0.072231 0.724949 H\n0.597219 0.927769 0.775051 H\n0.902781 0.927769 0.275051 H\n0.402781 0.072231 0.224949 H\n0.183358 0.016358 0.848633 H\n0.683358 0.983642 0.651367 H\n0.816642 0.983642 0.151367 H\n0.316642 0.016358 0.348633 H\n0.939057 0.662525 0.900693 H\n0.439057 0.337475 0.599307 H\n0.060943 0.337475 0.099307 H\n0.560943 0.662525 0.400693 H\n0.861204 0.686009 0.022686 H\n0.361204 0.313991 0.477314 H\n0.138796 0.313991 0.977314 H\n0.638796 0.686009 0.522686 H\n0.148519 0.258783 0.395585 S\n0.648519 0.741217 0.104415 S\n0.851481 0.741217 0.604415 S\n0.351481 0.258783 0.895585 S\n0.239128 0.389372 0.417873 O\n0.739128 0.610628 0.082127 O\n0.760872 0.610628 0.582127 O\n0.260872 0.389372 0.917873 O\n0.084122 0.197204 0.532524 O\n0.584122 0.802796 0.967476 O\n0.915878 0.802796 0.467476 O\n0.415878 0.197204 0.032524 O\n0.084815 0.397210 0.270389 O\n0.584815 0.602790 0.229611 O\n0.915185 0.602790 0.729611 O\n0.415185 0.397210 0.770389 O\n0.184795 0.059334 0.357373 O\n0.684795 0.940666 0.142627 O\n0.815205 0.940666 0.642627 O\n0.315205 0.059334 0.857373 O\n0.108612 0.840020 0.162027 O\n0.608612 0.159980 0.337973 O\n0.891388 0.159980 0.837973 O\n0.391388 0.840020 0.662027 O\n0.108971 0.993056 0.831056 O\n0.608971 0.006944 0.668944 O\n0.891029 0.006944 0.168944 O\n0.391029 0.993056 0.331056 O\n0.934925 0.708328 0.992657 O\n0.434925 0.291672 0.507343 O\n0.065075 0.291672 0.007343 O\n0.565075 0.708328 0.492657 O\n",
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],
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"density_atomic": 0.0827170069856438,
"volume": 749.5435613471918,
"volume_molar": 7.280414245458846,
"formula_full": "Cs4 Mg2 H24 S4 O28",
"formula_reduced": "Cs2MgH12(SO7)2",
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"updated_at": "2021-11-28T01:36:13.972000Z",
"spacegroup": 14
},
{
"id": "mp-542533",
"created_at": "2022-09-04T14:43:21.969295Z",
"structure_string": "Cs4 Na4 B16 H48 O52\n1.0\n11.545089 0.000000 0.000000\n0.000000 8.250722 0.000000\n0.000000 0.558698 13.244276\nCs Na B H O\n4 4 16 48 52\ndirect\n0.389498 0.041761 0.368289 Cs\n0.889498 0.958239 0.131711 Cs\n0.610502 0.958239 0.631711 Cs\n0.110502 0.041761 0.868289 Cs\n0.088290 0.138293 0.537133 Na\n0.588290 0.861707 0.962867 Na\n0.911710 0.861707 0.462867 Na\n0.411710 0.138293 0.037133 Na\n0.598171 0.364548 0.409583 B\n0.098171 0.635452 0.090417 B\n0.401829 0.635452 0.590417 B\n0.901829 0.364548 0.909583 B\n0.703389 0.356400 0.248867 B\n0.203389 0.643600 0.251133 B\n0.296611 0.643600 0.751133 B\n0.796611 0.356400 0.748867 B\n0.823940 0.596594 0.297400 B\n0.323940 0.403406 0.202600 B\n0.176060 0.403406 0.702600 B\n0.676060 0.596594 0.797400 B\n0.612304 0.612906 0.289865 B\n0.112304 0.387094 0.210135 B\n0.387696 0.387094 0.710135 B\n0.887696 0.612906 0.789865 B\n0.508336 0.356597 0.539095 H\n0.008336 0.643403 0.960905 H\n0.491664 0.643403 0.460905 H\n0.991664 0.356597 0.039095 H\n0.709703 0.283047 0.106143 H\n0.209703 0.716953 0.393857 H\n0.290297 0.716953 0.893857 H\n0.790297 0.283047 0.606143 H\n0.999706 0.606743 0.308374 H\n0.499706 0.393257 0.191626 H\n0.000294 0.393257 0.691626 H\n0.500294 0.606743 0.808374 H\n0.450775 0.684005 0.254211 H\n0.950775 0.315995 0.245789 H\n0.549225 0.315995 0.745789 H\n0.049225 0.684005 0.754211 H\n0.189286 0.408718 0.395291 H\n0.689286 0.591282 0.104709 H\n0.810714 0.591282 0.604709 H\n0.310714 0.408718 0.895291 H\n0.271216 0.393134 0.491740 H\n0.771216 0.606866 0.008260 H\n0.728784 0.606866 0.508260 H\n0.228784 0.393134 0.991740 H\n0.284666 0.115030 0.636714 H\n0.784666 0.884970 0.863286 H\n0.715334 0.884970 0.363286 H\n0.215334 0.115030 0.136714 H\n0.294735 0.923170 0.621271 H\n0.794735 0.076830 0.878729 H\n0.705265 0.076830 0.378729 H\n0.205265 0.923170 0.121271 H\n0.054166 0.104963 0.324716 H\n0.554166 0.895037 0.175284 H\n0.945834 0.895037 0.675284 H\n0.445834 0.104963 0.824716 H\n0.112382 0.930069 0.347528 H\n0.612382 0.069931 0.152472 H\n0.887618 0.069931 0.652472 H\n0.387618 0.930069 0.847528 H\n0.877158 0.325646 0.408220 H\n0.377158 0.674354 0.091780 H\n0.122842 0.674354 0.591780 H\n0.622842 0.325646 0.908220 H\n0.986164 0.397707 0.453343 H\n0.486164 0.602293 0.046657 H\n0.013836 0.602293 0.546657 H\n0.513836 0.397707 0.953343 H\n0.658825 0.272919 0.342935 O\n0.158825 0.727081 0.157065 O\n0.341175 0.727081 0.657065 O\n0.841175 0.272919 0.842935 O\n0.818803 0.434258 0.275262 O\n0.318803 0.565742 0.224738 O\n0.181197 0.565742 0.724738 O\n0.681197 0.434258 0.775262 O\n0.726193 0.692708 0.301137 O\n0.226193 0.307292 0.198863 O\n0.273807 0.307292 0.698863 O\n0.773807 0.692708 0.801137 O\n0.580616 0.528908 0.391155 O\n0.080616 0.471092 0.108845 O\n0.419384 0.471092 0.608845 O\n0.919384 0.528908 0.891155 O\n0.623265 0.486354 0.213771 O\n0.123265 0.513646 0.286229 O\n0.376735 0.513646 0.786229 O\n0.876735 0.486354 0.713771 O\n0.555227 0.285518 0.495301 O\n0.055227 0.714482 0.004699 O\n0.444773 0.714482 0.504699 O\n0.944773 0.285518 0.995301 O\n0.718093 0.233814 0.173883 O\n0.218093 0.766186 0.326117 O\n0.281907 0.766186 0.826117 O\n0.781907 0.233814 0.673883 O\n0.927135 0.672349 0.318439 O\n0.427135 0.327651 0.181561 O\n0.072865 0.327651 0.681561 O\n0.572865 0.672349 0.818439 O\n0.526956 0.735870 0.263306 O\n0.026956 0.264130 0.236694 O\n0.473044 0.264130 0.736694 O\n0.973044 0.735870 0.763306 O\n0.216668 0.333714 0.450962 O\n0.716668 0.666286 0.049038 O\n0.783332 0.666286 0.549038 O\n0.283332 0.333714 0.950962 O\n0.269276 0.028105 0.589413 O\n0.769276 0.971895 0.910587 O\n0.730724 0.971895 0.410587 O\n0.230724 0.028105 0.089413 O\n0.061860 0.013626 0.376151 O\n0.561860 0.986374 0.123849 O\n0.938140 0.986374 0.623849 O\n0.438140 0.013626 0.876151 O\n0.923607 0.321882 0.470469 O\n0.423607 0.678118 0.029531 O\n0.076393 0.678118 0.529531 O\n0.576393 0.321882 0.970469 O\n",
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"formula_full": "Cs4 Na4 B16 H48 O52",
"formula_reduced": "CsNaB4H12O13",
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"spacegroup": 14
},
{
"id": "mp-1228226",
"created_at": "2022-09-04T14:43:18.855296Z",
"structure_string": "Ba6 Co6 Te2 P4 O28\n1.0\n-8.603815 -0.000387 -0.000532\n-4.301236 7.451013 5.370235\n4.301908 7.450817 -5.369443\nBa Co Te P O\n6 6 2 4 28\ndirect\n0.434287 0.000005 0.000000 Ba\n0.934291 0.500007 0.499996 Ba\n0.782879 0.217147 0.217169 Ba\n0.282860 0.717156 0.717175 Ba\n0.282817 0.282854 0.282810 Ba\n0.782814 0.782831 0.782814 Ba\n0.512271 0.250022 0.750011 Co\n0.868881 0.131187 0.631205 Co\n0.868845 0.368766 0.868805 Co\n0.012285 0.750024 0.250015 Co\n0.368854 0.631205 0.131192 Co\n0.368851 0.868751 0.368817 Co\n0.999957 0.999993 0.999982 Te\n0.499971 0.499998 0.500007 Te\n0.268876 0.064433 0.602142 P\n0.768858 0.564457 0.102142 P\n0.731174 0.935548 0.397871 P\n0.231171 0.435557 0.897867 P\n0.125344 0.208049 0.458630 O\n0.625318 0.708078 0.958634 O\n0.874747 0.791931 0.541380 O\n0.374734 0.291937 0.041371 O\n0.562452 0.652670 0.443012 O\n0.062418 0.152679 0.942982 O\n0.239756 0.664588 0.454838 O\n0.739745 0.164569 0.954829 O\n0.883256 0.997298 0.787559 O\n0.383251 0.497324 0.287569 O\n0.093017 0.002661 0.212425 O\n0.593008 0.502676 0.712439 O\n0.449314 0.335507 0.545142 O\n0.949319 0.835496 0.045134 O\n0.772080 0.347306 0.557015 O\n0.272054 0.847316 0.056954 O\n0.511636 0.969674 0.321967 O\n0.011633 0.469661 0.821926 O\n0.789760 0.918851 0.271009 O\n0.289790 0.418872 0.771020 O\n0.727018 0.083273 0.435563 O\n0.226968 0.583282 0.935563 O\n0.374676 0.916707 0.564444 O\n0.874693 0.416745 0.064428 O\n0.437661 0.081125 0.728985 O\n0.937624 0.581150 0.228996 O\n0.159400 0.030322 0.678093 O\n0.659384 0.530312 0.178070 O\n",
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"formula_full": "Ba6 Co6 Te2 P4 O28",
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},
{
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{
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}