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{
"id": "jvasp-111655",
"created_at": "2022-09-04T14:38:26.080377Z",
"updated_at": "2022-09-04T14:38:26.080401Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.838239 0.000000 0.000000\n0.000000 5.609945 1.219133\n0.000000 0.044859 12.429400\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.145526 0.682490 Li\n0.500000 0.991827 0.508945 Li\n0.000000 0.832946 0.334729 Li\n0.500000 0.669735 0.162723 Li\n0.000000 0.517658 0.979566 Li\n0.500000 0.345680 0.827649 Li\n0.500000 0.825074 0.829654 Li\n0.000000 0.001108 0.993114 Mn\n0.000000 0.332768 0.334805 Mn\n0.500000 0.499477 0.500692 Co\n0.500000 0.166439 0.167734 Co\n0.000000 0.668661 0.669900 Co\n0.000000 0.943601 0.162579 O\n0.000000 0.721210 0.505829 O\n0.500000 0.564238 0.337164 O\n0.000000 0.393014 0.176037 O\n0.500000 0.228679 0.010458 O\n0.000000 0.082805 0.847585 O\n0.500000 0.892518 0.665821 O\n0.000000 0.587193 0.821434 O\n0.500000 0.442518 0.656436 O\n0.000000 0.270999 0.492357 O\n0.500000 0.101862 0.329845 O\n0.500000 0.774477 0.002449 O\n",
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{
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"structure_string": "Na4 B8 H40 O34\n1.0\n5.629664 5.198382 -1.731686\n-5.629664 5.198382 1.731686\n-0.089462 0.000000 12.134179\nNa B H O\n4 8 40 34\ndirect\n0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.149275 0.149275 0.750000 Na\n0.850725 0.850725 0.250000 Na\n0.556943 0.356600 0.396324 B\n0.356600 0.556943 0.103676 B\n0.643400 0.443056 0.896324 B\n0.443057 0.643400 0.603676 B\n0.255425 0.431696 0.282758 B\n0.568303 0.744575 0.782758 B\n0.744575 0.568303 0.717242 B\n0.431696 0.255425 0.217242 B\n0.677949 0.069167 0.535973 H\n0.966961 0.228929 0.301523 H\n0.228929 0.966961 0.198477 H\n0.724966 0.886203 0.618847 H\n0.886204 0.724966 0.881153 H\n0.275034 0.113796 0.381153 H\n0.113796 0.275034 0.118847 H\n0.069168 0.677949 0.964027 H\n0.374978 0.139482 0.593297 H\n0.284242 0.479557 0.839700 H\n0.479557 0.284242 0.660300 H\n0.715757 0.520442 0.160300 H\n0.520442 0.715757 0.339700 H\n0.771071 0.033038 0.801523 H\n0.139482 0.374977 0.906703 H\n0.625022 0.860517 0.406703 H\n0.860517 0.625022 0.093297 H\n0.930832 0.322051 0.035973 H\n0.033038 0.771071 0.698477 H\n0.322051 0.930832 0.464027 H\n0.176562 0.770482 0.191721 H\n0.770482 0.176562 0.308279 H\n0.500922 0.992536 0.774984 H\n0.992536 0.500922 0.725016 H\n0.007464 0.499077 0.274984 H\n0.652971 0.424709 0.546400 H\n0.424709 0.652970 0.953600 H\n0.347029 0.575291 0.453600 H\n0.575291 0.347029 0.046400 H\n0.911181 0.315121 0.537101 H\n0.499078 0.007464 0.225016 H\n0.315122 0.911181 0.962899 H\n0.088818 0.684878 0.462899 H\n0.684878 0.088818 0.037101 H\n0.649482 0.925404 0.980690 H\n0.925404 0.649482 0.519310 H\n0.350518 0.074596 0.019310 H\n0.074596 0.350518 0.480690 H\n0.823438 0.229518 0.808279 H\n0.229518 0.823437 0.691721 H\n0.282594 0.032589 0.950070 O\n0.032590 0.282594 0.549931 O\n0.717405 0.967410 0.049930 O\n0.967410 0.717405 0.450070 O\n0.121894 0.871993 0.697442 O\n0.871993 0.121894 0.802558 O\n0.878106 0.128006 0.302558 O\n0.712651 0.953046 0.537211 O\n0.953046 0.712651 0.962789 O\n0.171761 0.409145 0.829743 O\n0.046954 0.287348 0.037211 O\n0.287348 0.046954 0.462789 O\n0.409146 0.171761 0.670257 O\n0.679458 0.347187 0.498402 O\n0.128006 0.878106 0.197442 O\n0.347187 0.679458 0.001598 O\n0.583385 0.541701 0.624759 O\n0.652813 0.320541 0.998402 O\n0.590854 0.828239 0.329743 O\n0.736241 0.736241 0.750000 O\n0.263759 0.263759 0.250000 O\n0.738996 0.422778 0.819375 O\n0.422778 0.738995 0.680625 O\n0.261004 0.577222 0.180625 O\n0.320542 0.652813 0.501598 O\n0.577222 0.261004 0.319375 O\n0.416615 0.458299 0.375241 O\n0.458299 0.416615 0.124759 O\n0.898377 0.568429 0.670628 O\n0.568430 0.898377 0.829372 O\n0.101623 0.431570 0.329372 O\n0.431570 0.101623 0.170628 O\n0.541701 0.583385 0.875241 O\n0.828239 0.590854 0.170257 O\n",
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{
"id": "jvasp-119623",
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"updated_at": "2022-09-04T14:38:51.778398Z",
"structure_string": "Mg2 B4 H16\n1.0\n5.531604 -0.000000 0.000000\n0.000000 5.531604 0.000000\n-0.000000 -0.000000 5.924210\nMg B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750117 0.250118 0.750000 B\n0.249882 0.749882 0.750000 B\n0.749882 0.750117 0.250000 B\n0.250118 0.249882 0.250000 B\n0.360196 0.827820 0.586106 H\n0.639803 0.172180 0.586106 H\n0.219227 0.035065 0.286554 H\n0.780772 0.964934 0.286554 H\n0.035065 0.780772 0.713446 H\n0.964934 0.219227 0.713446 H\n0.139803 0.327820 0.086106 H\n0.672179 0.139803 0.913894 H\n0.327820 0.860196 0.913894 H\n0.827820 0.639803 0.413894 H\n0.464935 0.280773 0.213446 H\n0.535064 0.719227 0.213446 H\n0.280773 0.535064 0.786554 H\n0.719227 0.464935 0.786554 H\n0.860196 0.672179 0.086106 H\n0.172180 0.360196 0.413894 H\n",
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{
"id": "jvasp-33275",
"created_at": "2022-09-04T14:38:04.040516Z",
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"structure_string": "H16 N16\n1.0\n6.168457 -0.064217 0.674309\n-1.582774 5.592997 -3.298888\n0.639962 -0.735782 8.143801\nH N\n16 16\ndirect\n0.673820 0.933432 0.346568 H\n0.002097 0.671355 0.429397 H\n0.008027 0.794519 0.862925 H\n0.794495 0.974641 0.625727 H\n0.619761 0.239318 0.068474 H\n0.590587 0.486235 0.332665 H\n0.634511 0.417616 0.857721 H\n0.785484 0.437972 0.570987 H\n0.326181 0.066568 0.653432 H\n0.365490 0.582384 0.142279 H\n0.409414 0.513765 0.667335 H\n0.380240 0.760683 0.931526 H\n0.205506 0.025359 0.374273 H\n-0.008026 0.205482 0.137075 H\n-0.002097 0.328646 0.570603 H\n0.214517 0.562028 0.429013 H\n0.156639 0.126079 0.881250 N\n0.833109 0.339596 0.613738 N\n0.101151 0.283741 0.066056 N\n0.550900 0.299393 0.209006 N\n0.305805 0.190143 0.391067 N\n0.693258 0.779789 0.202651 N\n0.306743 0.220211 0.797349 N\n0.898850 0.716260 0.933943 N\n0.449101 0.700607 0.790994 N\n0.166892 0.660404 0.386262 N\n0.843362 0.873922 0.118749 N\n0.593791 0.879392 0.778134 N\n0.806194 0.449113 0.822472 N\n0.406210 0.120609 0.221866 N\n0.694196 0.809857 0.608932 N\n0.193807 0.550887 0.177527 N\n",
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{
"id": "jvasp-101959",
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"updated_at": "2022-09-04T14:36:46.873913Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n4.336437 0.308969 0.432626\n0.592864 4.121603 0.313638\n0.265225 0.737714 11.715941\nCd H C O\n1 12 8 4\ndirect\n0.049822 0.319099 0.810239 Cd\n0.759082 0.158098 0.426405 H\n0.776842 0.045104 0.111298 H\n0.830566 0.699960 0.036519 H\n0.097886 0.137942 0.221375 H\n0.430670 0.048721 0.299435 H\n0.918636 0.635904 0.327288 H\n0.111349 0.042413 0.494905 H\n0.291375 0.599881 0.134412 H\n0.612195 0.507438 0.218803 H\n0.564942 0.670613 0.528610 H\n0.938536 0.505820 0.581226 H\n0.263976 0.526638 0.398477 H\n0.470673 0.082720 0.979061 C\n0.648767 0.886631 0.077533 C\n0.451384 0.712677 0.173499 C\n0.266554 0.932807 0.263254 C\n0.933681 0.943893 0.459542 C\n0.770389 0.735355 0.557691 C\n0.667423 0.922065 0.662353 C\n0.093658 0.740319 0.361836 C\n0.560206 0.328144 0.916133 O\n0.423805 0.151278 0.659860 O\n0.846208 0.852429 0.746528 O\n0.225448 0.988277 0.960048 O\n",
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{
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"updated_at": "2022-09-04T14:38:26.249568Z",
"structure_string": "Li6 Co6 Ni2 O16\n1.0\n5.609169 0.000124 -0.000218\n2.804581 4.857809 0.000291\n0.000405 -0.000640 9.072579\nLi Co Ni O\n6 6 2 16\ndirect\n0.168939 0.169030 0.447377 Li\n0.168967 0.661983 0.447372 Li\n0.661803 0.169103 0.447364 Li\n0.338165 0.830924 0.947364 Li\n0.831028 0.337978 0.947376 Li\n0.830992 0.830968 0.947374 Li\n0.831471 0.831526 0.214268 Co\n0.336958 0.831528 0.214266 Co\n0.831471 0.337016 0.214269 Co\n0.168489 0.663027 0.714267 Co\n0.168489 0.168518 0.714269 Co\n0.663004 0.168515 0.714265 Co\n0.333319 0.333353 0.991852 Ni\n0.666639 0.666692 0.491854 Ni\n0.314782 0.842628 0.594140 O\n0.842580 0.314831 0.594137 O\n0.516741 0.966456 0.340640 O\n0.666641 0.666692 0.103118 O\n0.516743 0.516810 0.340631 O\n0.685179 0.157420 0.094140 O\n0.483222 0.483229 0.840631 O\n-0.000043 0.000025 0.320607 O\n0.333319 0.333359 0.603118 O\n0.000003 0.000011 0.820607 O\n0.157381 0.685214 0.094136 O\n0.033556 0.483236 0.840635 O\n0.157380 0.157422 0.094139 O\n0.966405 0.516800 0.340634 O\n0.483216 0.033589 0.840642 O\n0.842580 0.842625 0.594139 O\n",
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{
"id": "jvasp-117127",
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"updated_at": "2022-09-04T14:38:48.150059Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.688860 0.000344 3.513959\n6.087900 2.770978 3.513959\n-0.012024 -0.002608 12.443362\nLi Mn Co O\n8 2 4 14\ndirect\n0.000001 -0.000000 0.500000 Li\n0.296058 0.296058 0.058961 Li\n0.573907 0.573904 0.646207 Li\n0.426095 0.426094 0.353793 Li\n0.703944 0.703941 0.941039 Li\n0.871898 0.871896 0.186324 Li\n0.128104 0.128102 0.813676 Li\n0.500000 0.500000 0.000000 Li\n0.356440 0.356438 0.715490 Mn\n0.643562 0.643560 0.284510 Mn\n0.784216 0.784213 0.572530 Co\n0.068331 0.068331 0.142717 Co\n0.931671 0.931668 0.857283 Co\n0.215786 0.215785 0.427470 Co\n0.893558 0.893557 0.021457 O\n0.955763 0.955760 0.681959 O\n0.241571 0.241570 0.258339 O\n0.526226 0.526224 0.822046 O\n0.382208 0.382207 0.546491 O\n0.667533 0.667532 0.121797 O\n0.809292 0.809290 0.406841 O\n0.106444 0.106442 0.978543 O\n0.044239 0.044239 0.318041 O\n0.332469 0.332466 0.878203 O\n0.617794 0.617792 0.453509 O\n0.473776 0.473775 0.177954 O\n0.758431 0.758429 0.741661 O\n0.190710 0.190709 0.593159 O\n",
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{
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"created_at": "2022-09-04T14:38:41.875693Z",
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"structure_string": "Sn1 H24 C13 O6\n1.0\n5.032208 0.042799 -0.395730\n-2.876671 7.515382 -3.052561\n-0.141134 -0.078296 9.601137\nSn H C O\n1 24 13 6\ndirect\n0.005842 0.586833 0.161055 Sn\n0.863424 0.364105 0.554710 H\n0.019525 0.769302 0.011864 H\n0.852177 0.346736 0.731886 H\n0.515845 0.011277 0.565353 H\n0.887482 0.075338 0.580164 H\n0.812817 0.112639 0.327997 H\n0.437091 0.015492 0.310295 H\n0.982658 0.795365 0.555456 H\n0.918553 0.006967 0.793903 H\n0.562112 0.539345 0.474647 H\n0.478747 0.719257 0.594545 H\n0.120284 0.543976 0.397203 H\n0.329377 0.259526 0.678725 H\n0.041811 0.663277 0.650629 H\n0.433741 0.897114 0.784937 H\n0.410082 0.101788 0.800558 H\n0.932382 0.867305 0.886806 H\n0.144311 0.139396 0.123943 H\n0.497750 0.275845 0.232975 H\n0.712136 0.142107 0.030439 H\n0.320427 0.271088 0.498169 H\n0.455363 0.965518 0.052193 H\n0.650741 0.584632 0.803055 H\n0.298920 0.541420 0.722172 H\n0.343197 0.996986 0.843959 C\n0.498236 0.527861 0.692546 C\n0.361397 0.206605 0.116718 C\n0.015400 0.909527 0.798779 C\n0.482892 0.074593 0.014402 C\n0.452501 0.328486 0.615463 C\n0.695400 0.093850 0.536038 C\n0.919828 0.748342 0.644547 C\n0.648241 0.023238 0.359621 C\n0.731395 0.291566 0.612733 C\n0.665235 0.839969 0.298594 C\n0.353561 0.347905 0.060554 C\n0.602047 0.632988 0.594630 C\n0.906483 0.827950 0.274290 O\n0.114479 0.684821 0.008326 O\n0.943245 0.488631 0.318994 O\n0.576768 0.447151 0.038252 O\n0.112669 0.363085 0.029986 O\n0.453386 0.704595 0.283535 O\n",
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{
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"formula_full": "Mg7 V1 H16",
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{
"id": "jvasp-111648",
"created_at": "2022-09-04T14:38:52.107379Z",
"updated_at": "2022-09-04T14:38:52.107396Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.839418 -0.003879 0.245291\n1.375358 6.140445 0.724476\n0.282582 -0.089544 13.247723\nLi Mn Co O\n8 2 4 14\ndirect\n0.139893 0.932223 0.787701 Li\n0.003621 0.504442 0.488885 Li\n0.863281 0.056602 0.217182 Li\n0.578126 0.207385 0.636662 Li\n0.435035 0.784976 0.345538 Li\n0.267552 0.380268 0.084105 Li\n0.712270 0.636064 0.938686 Li\n0.567439 0.713937 0.151216 Li\n0.002216 0.991673 0.003569 Mn\n0.858953 0.569776 0.712269 Mn\n0.286919 0.854957 0.571335 Co\n0.141265 0.433704 0.283903 Co\n0.714995 0.141476 0.428736 Co\n0.428362 0.287246 0.855864 Co\n0.869718 0.309710 0.950865 O\n0.559478 0.982407 0.898174 O\n0.422278 0.542094 0.613135 O\n0.272130 0.122564 0.333203 O\n-0.009321 0.263363 0.754984 O\n0.843866 0.835759 0.476450 O\n0.708459 0.390595 0.192394 O\n0.133887 0.701777 0.029988 O\n0.725393 0.876778 0.672717 O\n0.584127 0.446166 0.385926 O\n0.432106 0.042834 0.092846 O\n0.155996 0.159557 0.528847 O\n0.005466 0.735197 0.254162 O\n0.296502 0.596464 0.810661 O\n",
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],
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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{
"id": "jvasp-51710",
"created_at": "2022-09-04T14:38:12.995368Z",
"updated_at": "2022-09-04T14:38:12.995396Z",
"structure_string": "Mg2 H6 Os1\n1.0\n3.334948 3.334948 -0.000000\n0.000000 3.334948 3.334948\n3.334948 0.000000 3.334948\nMg H Os\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.255236 0.744764 0.744764 H\n0.255236 0.255236 0.744764 H\n0.255236 0.744764 0.255236 H\n0.744764 0.255236 0.255236 H\n0.744764 0.744764 0.255236 H\n0.744764 0.255236 0.744764 H\n0.000000 0.000000 0.000000 Os\n",
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{
"id": "jvasp-111654",
"created_at": "2022-09-04T14:38:40.772769Z",
"updated_at": "2022-09-04T14:38:40.772790Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.836979 -0.068999 0.030396\n0.122801 5.591196 1.297972\n-0.135991 -0.126406 12.433062\nLi Mn Co O\n7 2 3 12\ndirect\n0.000033 0.517944 0.979192 Li\n0.500088 0.345982 0.827416 Li\n0.499829 0.669735 0.162626 Li\n-0.000074 0.832856 0.334881 Li\n0.500065 0.991514 0.509324 Li\n0.000200 0.145049 0.682643 Li\n0.500054 0.825204 0.829516 Li\n-0.000016 0.001249 0.993164 Mn\n0.999946 0.332667 0.334861 Mn\n0.500005 0.499348 0.500633 Co\n0.499950 0.166443 0.167800 Co\n0.000034 0.668625 0.669767 Co\n0.000032 0.270767 0.492181 O\n0.499933 0.228708 0.010613 O\n0.000013 0.082970 0.847719 O\n0.999903 0.393005 0.176100 O\n0.499905 0.563966 0.337068 O\n-0.000028 0.721027 0.505760 O\n0.499996 0.892767 0.665891 O\n0.500022 0.774755 0.002536 O\n0.000064 0.587263 0.821483 O\n-0.000006 0.943677 0.162730 O\n0.499989 0.101934 0.329843 O\n0.500064 0.442545 0.656252 O\n",
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}