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{
"id": "mp-1173851",
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"structure_string": "Na2 V9 Mo1 H35 N4 O38\n1.0\n9.098219 0.000000 0.000000\n-4.539610 9.670952 0.000000\n-0.510290 -3.962144 10.524504\nNa V Mo H N O\n2 9 1 35 4 38\ndirect\n0.900274 0.335392 0.375286 Na\n0.097008 0.664743 0.624020 Na\n0.661071 0.784250 0.998751 V\n0.479753 0.505493 0.246663 V\n0.193469 0.220898 0.732282 V\n0.465287 0.786267 0.222815 V\n0.319879 0.501345 0.979567 V\n0.678028 0.498861 0.019267 V\n0.539242 0.218442 0.774808 V\n0.811530 0.786637 0.260103 V\n0.527925 0.502445 0.756288 V\n0.329779 0.210300 0.000613 Mo\n0.604738 0.748324 0.610421 H\n0.678558 0.850083 0.515814 H\n0.631666 0.926154 0.653281 H\n0.480466 0.795210 0.533162 H\n0.140385 0.242485 0.263724 H\n0.255556 0.493287 0.451479 H\n0.221869 0.437979 0.564867 H\n0.976954 0.095997 0.203242 H\n0.388789 0.764641 0.834402 H\n0.396971 0.918096 0.842664 H\n0.249042 0.808483 0.433509 H\n0.109721 0.513306 0.228924 H\n0.834621 0.099712 0.951982 H\n0.853063 0.223437 0.088294 H\n0.033051 0.452903 0.782379 H\n0.154261 0.731486 0.040927 H\n0.287609 0.925711 0.568420 H\n0.721359 0.080046 0.429355 H\n0.853318 0.261995 0.957951 H\n0.963460 0.551378 0.224994 H\n0.153427 0.774481 0.909224 H\n0.161055 0.895926 0.048425 H\n0.871172 0.465605 0.755212 H\n0.739316 0.176507 0.568727 H\n0.604586 0.078735 0.162186 H\n0.985239 0.736664 0.977418 H\n0.617089 0.232524 0.168604 H\n0.026843 0.921851 0.788293 H\n0.782881 0.564479 0.434142 H\n0.739306 0.507593 0.545803 H\n0.866219 0.771808 0.751230 H\n0.520007 0.209874 0.469058 H\n0.381224 0.080274 0.342222 H\n0.316931 0.145501 0.474032 H\n0.398989 0.255083 0.386949 H\n0.600182 0.828880 0.578394 N\n0.893374 0.210147 0.004378 N\n0.112768 0.784552 0.994778 N\n0.402866 0.173515 0.418139 N\n0.840286 0.863485 0.127886 O\n0.603665 0.608154 0.669998 O\n0.552780 0.615599 0.101437 O\n0.719559 0.877349 0.903346 O\n0.676530 0.874877 0.320790 O\n0.315815 0.370473 0.667873 O\n0.285550 0.381569 0.086226 O\n0.442139 0.618772 0.882178 O\n0.545135 0.864960 0.097469 O\n0.396257 0.635262 0.294762 O\n0.026897 0.190673 0.274177 O\n0.018939 0.119895 0.632181 O\n0.268022 0.629158 0.076598 O\n0.185858 0.485539 0.515079 O\n0.152767 0.375455 0.854837 O\n0.376697 0.886381 0.293212 O\n0.327023 0.810481 0.806585 O\n0.273767 0.825604 0.524147 O\n0.019681 0.514962 0.272235 O\n0.988968 0.509846 0.752081 O\n0.731904 0.176670 0.481777 O\n0.644144 0.181628 0.218651 O\n0.624451 0.115461 0.703579 O\n0.850058 0.623857 0.139495 O\n0.816451 0.519083 0.487685 O\n0.726128 0.369759 0.919899 O\n0.987496 0.884755 0.358488 O\n0.984260 0.814272 0.749835 O\n0.608677 0.367718 0.703906 O\n0.451843 0.130669 0.900335 O\n0.556087 0.375453 0.116177 O\n0.714112 0.616686 0.913258 O\n0.691146 0.632814 0.328267 O\n0.326574 0.127717 0.678280 O\n0.260064 0.099910 0.092471 O\n0.441983 0.376642 0.895591 O\n0.401907 0.396636 0.330828 O\n0.155303 0.131689 0.864114 O\n",
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"formula_full": "Na2 V9 Mo1 H35 N4 O38",
"formula_reduced": "Na2V9MoH35(N2O19)2",
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"energy": -573.9581665200001,
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"spacegroup": 1
},
{
"id": "mp-707443",
"created_at": "2022-09-04T14:41:57.036268Z",
"structure_string": "Na7 Al1 H2 C4 O12 F4\n1.0\n6.543116 0.000000 0.000000\n3.220921 5.946009 0.000000\n1.139325 1.075688 8.778848\nNa Al H C O F\n7 1 2 4 12 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.339864 0.385125 0.641929 Na\n0.660136 0.614875 0.358071 Na\n0.657163 0.119477 0.355069 Na\n0.342837 0.880523 0.644931 Na\n0.500000 0.500000 0.000000 Al\n0.996839 0.227774 0.490495 H\n0.003161 0.772226 0.509505 H\n0.175760 0.111094 0.298519 C\n0.824240 0.888906 0.701481 C\n0.815271 0.387037 0.714742 C\n0.184729 0.612963 0.285258 C\n0.357549 0.992902 0.373757 O\n0.642451 0.007098 0.626243 O\n0.969197 0.228734 0.378718 O\n0.030803 0.771266 0.621282 O\n0.165139 0.131337 0.155873 O\n0.834861 0.868663 0.844127 O\n0.024399 0.256497 0.661858 O\n0.975601 0.743503 0.338142 O\n0.782926 0.392387 0.863981 O\n0.217074 0.607613 0.136019 O\n0.647023 0.505255 0.626479 O\n0.352977 0.494745 0.373521 O\n0.358902 0.393729 0.891750 F\n0.641098 0.606271 0.108250 F\n0.635127 0.213870 0.105618 F\n0.364873 0.786130 0.894382 F\n",
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"formula_full": "Na7 Al1 H2 C4 O12 F4",
"formula_reduced": "Na7AlH2C4(O3F)4",
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},
{
"id": "mp-1198552",
"created_at": "2022-09-04T14:42:01.104083Z",
"structure_string": "Ta8 H144 C48 N24 Cl8 O4\n1.0\n11.709729 0.000000 0.000000\n0.000000 13.344710 0.000000\n-6.385871 0.000000 16.140141\nTa H C N Cl O\n8 144 48 24 8 4\ndirect\n0.081439 0.296562 0.686994 Ta\n0.081439 0.203438 0.186994 Ta\n0.918561 0.703438 0.313006 Ta\n0.918561 0.796562 0.813006 Ta\n0.365013 0.241051 0.687352 Ta\n0.365013 0.258949 0.187352 Ta\n0.634987 0.758949 0.312648 Ta\n0.634987 0.741051 0.812648 Ta\n0.256321 0.038245 0.525514 H\n0.256321 0.461755 0.025514 H\n0.743679 0.961755 0.474486 H\n0.743679 0.538245 0.974486 H\n0.235044 0.044739 0.622597 H\n0.235044 0.455261 0.122597 H\n0.764956 0.955261 0.377403 H\n0.764956 0.544739 0.877403 H\n0.359570 0.974142 0.613875 H\n0.359570 0.525858 0.113875 H\n0.640430 0.025858 0.386125 H\n0.640430 0.474142 0.886125 H\n0.539605 0.063853 0.602563 H\n0.539605 0.436147 0.102563 H\n0.460395 0.936147 0.397437 H\n0.460395 0.563853 0.897437 H\n0.519391 0.194333 0.576339 H\n0.519391 0.305667 0.076339 H\n0.480609 0.805667 0.423661 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Cl\n0.293790 0.109662 0.276873 Cl\n0.706210 0.609662 0.223127 Cl\n0.706210 0.890338 0.723127 Cl\n0.236958 0.137531 0.762602 Cl\n0.236958 0.362469 0.262602 Cl\n0.763042 0.862469 0.237398 Cl\n0.763042 0.637531 0.737398 Cl\n0.192619 0.275570 0.627137 O\n0.192619 0.224430 0.127137 O\n0.807381 0.724430 0.372863 O\n0.807381 0.775570 0.872863 O\n",
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"formula_full": "Ta8 H144 C48 N24 Cl8 O4",
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"spacegroup": 14
},
{
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{
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{
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}