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{
"id": "mp-761801",
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"structure_string": "Li1 V2 Co1 O6\n1.0\n-2.378588 4.412846 0.036964\n-2.957981 -1.621693 -4.111922\n-0.120085 -2.875784 4.171673\nLi V Co O\n1 2 1 6\ndirect\n0.725692 0.142809 0.428577 Li\n0.498237 0.486533 0.973178 V\n0.973654 0.981251 0.960970 V\n0.197691 0.617159 0.412370 Co\n0.252589 0.791003 0.897870 O\n0.892420 0.801421 0.160640 O\n0.398166 0.298893 0.540678 O\n0.633907 0.793279 0.529870 O\n0.141245 0.293074 0.930848 O\n0.785597 0.292977 0.163397 O\n",
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{
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"structure_string": "Na3 In1\n1.0\n-2.448806 2.448806 5.012410\n2.448806 -2.448806 5.012410\n2.448806 2.448806 -5.012410\nNa In\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 In\n",
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},
{
"id": "mp-1113306",
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"structure_string": "Rb2 Ce1 Cu1 Cl6\n1.0\n0.000000 5.302828 5.302828\n5.302828 0.000000 5.302828\n5.302828 5.302828 0.000000\nRb Ce Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Cu\n0.759006 0.240994 0.240994 Cl\n0.240994 0.240994 0.759006 Cl\n0.240994 0.759006 0.759006 Cl\n0.240994 0.759006 0.240994 Cl\n0.759006 0.240994 0.759006 Cl\n0.759006 0.759006 0.240994 Cl\n",
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],
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"volume": 298.23088548840553,
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"formula_full": "Rb2 Ce1 Cu1 Cl6",
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"formula_anonymous": "ABC2D6",
"energy": -44.140392520000006,
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"updated_at": "2021-11-28T01:38:25.001000Z",
"spacegroup": 225
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{
"id": "mp-740758",
"created_at": "2022-09-04T14:48:01.619959Z",
"structure_string": "H8 Os16 Pt4 C60 O60\n1.0\n8.975831 0.000000 0.000000\n0.000000 13.465683 0.000000\n0.000000 0.311284 20.511188\nH Os Pt C O\n8 16 4 60 60\ndirect\n0.664183 0.149937 0.187328 H\n0.164183 0.850063 0.312672 H\n0.335817 0.850063 0.812672 H\n0.835817 0.149937 0.687328 H\n0.737076 0.330859 0.198775 H\n0.237076 0.669141 0.301225 H\n0.262924 0.669141 0.801225 H\n0.762924 0.330859 0.698775 H\n0.498939 0.157220 0.132765 Os\n0.998939 0.842780 0.367235 Os\n0.501061 0.842780 0.867235 Os\n0.001061 0.157220 0.632765 Os\n0.600487 0.365297 0.133985 Os\n0.100487 0.634703 0.366015 Os\n0.399513 0.634703 0.866015 Os\n0.899513 0.365297 0.633985 Os\n0.655517 0.238759 0.253022 Os\n0.155517 0.761241 0.246978 Os\n0.344483 0.761241 0.746978 Os\n0.844483 0.238759 0.753022 Os\n0.736090 0.220337 0.041890 Os\n0.236090 0.779663 0.458110 Os\n0.263910 0.779663 0.958110 Os\n0.763910 0.220337 0.541890 Os\n0.372205 0.299090 0.218836 Pt\n0.872205 0.700910 0.281164 Pt\n0.627795 0.700910 0.781164 Pt\n0.127795 0.299090 0.718836 Pt\n0.306284 0.302127 0.307301 C\n0.806284 0.697873 0.192699 C\n0.693716 0.697873 0.692699 C\n0.193716 0.302127 0.807301 C\n0.197387 0.337048 0.170845 C\n0.697387 0.662952 0.329155 C\n0.802613 0.662952 0.829155 C\n0.302613 0.337048 0.670845 C\n0.358749 0.094785 0.191199 C\n0.858749 0.905215 0.308801 C\n0.641251 0.905215 0.808801 C\n0.141251 0.094785 0.691199 C\n0.353805 0.177200 0.065814 C\n0.853805 0.822800 0.434186 C\n0.646195 0.822800 0.934186 C\n0.146195 0.177200 0.565814 C\n0.559536 0.032385 0.100116 C\n0.059536 0.967615 0.399884 C\n0.440464 0.967615 0.899884 C\n0.940464 0.032385 0.600116 C\n0.538545 0.467195 0.192043 C\n0.038545 0.532805 0.307957 C\n0.461455 0.532805 0.807957 C\n0.961455 0.467195 0.692043 C\n0.461406 0.411817 0.070935 C\n0.961406 0.588183 0.429065 C\n0.538594 0.588183 0.929065 C\n0.038594 0.411817 0.570935 C\n0.764051 0.440048 0.099185 C\n0.264051 0.559952 0.400815 C\n0.235949 0.559952 0.900815 C\n0.735949 0.440048 0.599185 C\n0.853975 0.192845 0.271759 C\n0.353975 0.807155 0.228241 C\n0.146025 0.807155 0.728241 C\n0.646025 0.192845 0.771759 C\n0.671982 0.341523 0.315656 C\n0.171982 0.658477 0.184344 C\n0.328018 0.658477 0.684344 C\n0.828018 0.341523 0.815656 C\n0.563598 0.148862 0.313781 C\n0.063598 0.851138 0.186219 C\n0.436402 0.851138 0.686219 C\n0.936402 0.148862 0.813781 C\n0.872892 0.171637 0.108566 C\n0.372892 0.828363 0.391434 C\n0.127108 0.828363 0.891434 C\n0.627108 0.171637 0.608566 C\n0.589568 0.270698 0.979392 C\n0.089568 0.729302 0.520608 C\n0.410432 0.729302 0.020608 C\n0.910432 0.270698 0.479392 C\n0.893684 0.295727 0.002323 C\n0.393684 0.704273 0.497677 C\n0.106316 0.704273 0.997677 C\n0.606316 0.295727 0.502323 C\n0.766942 0.104023 0.992049 C\n0.266942 0.895977 0.507951 C\n0.233058 0.895977 0.007951 C\n0.733058 0.104023 0.492049 C\n0.262834 0.301065 0.360421 O\n0.762834 0.698935 0.139579 O\n0.737166 0.698935 0.639579 O\n0.237166 0.301065 0.860421 O\n0.091228 0.358598 0.142107 O\n0.591228 0.641402 0.357893 O\n0.908772 0.641402 0.857893 O\n0.408772 0.358598 0.642107 O\n0.276566 0.045598 0.221604 O\n0.776566 0.954402 0.278396 O\n0.723434 0.954402 0.778396 O\n0.223434 0.045598 0.721604 O\n0.263399 0.192866 0.026181 O\n0.763399 0.807134 0.473819 O\n0.736601 0.807134 0.973819 O\n0.236601 0.192866 0.526181 O\n0.590545 0.953136 0.082165 O\n0.090545 0.046864 0.417835 O\n0.409455 0.046864 0.917835 O\n0.909455 0.953136 0.582165 O\n0.514059 0.537004 0.223447 O\n0.014059 0.462996 0.276553 O\n0.485941 0.462996 0.776553 O\n0.985941 0.537004 0.723447 O\n0.369031 0.442571 0.036304 O\n0.869031 0.557429 0.463696 O\n0.630969 0.557429 0.963696 O\n0.130969 0.442571 0.536304 O\n0.862010 0.490734 0.082538 O\n0.362010 0.509266 0.417462 O\n0.137990 0.509266 0.917462 O\n0.637990 0.490734 0.582538 O\n0.970666 0.164942 0.288804 O\n0.470666 0.835058 0.211196 O\n0.029334 0.835058 0.711196 O\n0.529334 0.164942 0.788804 O\n0.688346 0.406141 0.351653 O\n0.188346 0.593859 0.148347 O\n0.311654 0.593859 0.648347 O\n0.811654 0.406141 0.851653 O\n0.503379 0.097875 0.351372 O\n0.003379 0.902125 0.148628 O\n0.496621 0.902125 0.648628 O\n0.996621 0.097875 0.851372 O\n0.963423 0.139788 0.143162 O\n0.463423 0.860212 0.356838 O\n0.036577 0.860212 0.856838 O\n0.536577 0.139788 0.643162 O\n0.511224 0.300032 0.938613 O\n0.011224 0.699968 0.561387 O\n0.488776 0.699968 0.061387 O\n0.988776 0.300032 0.438613 O\n0.993180 0.337619 0.978326 O\n0.493180 0.662381 0.521674 O\n0.006820 0.662381 0.021674 O\n0.506820 0.337619 0.478326 O\n0.788119 0.034230 0.960474 O\n0.288119 0.965770 0.539526 O\n0.211881 0.965770 0.039526 O\n0.711881 0.034230 0.460474 O\n",
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],
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"formula_full": "H8 Os16 Pt4 C60 O60",
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{
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"structure_string": "Ca6 Si6 O19\n1.0\n7.410391 0.000000 0.000000\n3.702177 7.017115 0.000000\n1.852425 0.062702 8.700538\nCa Si O\n6 6 19\ndirect\n0.745682 0.508175 0.495272 Ca\n0.254318 0.491825 0.504728 Ca\n0.670045 0.336964 0.129903 Ca\n0.329955 0.663036 0.870097 Ca\n0.180739 0.335741 0.134878 Ca\n0.819261 0.664259 0.865122 Ca\n0.910155 0.762558 0.208369 Si\n0.089845 0.237442 0.791631 Si\n0.477704 0.770917 0.214982 Si\n0.522296 0.229083 0.785018 Si\n0.020231 0.057029 0.318992 Si\n0.979769 0.942971 0.681008 Si\n0.000000 0.000000 0.500000 O\n0.660675 0.832409 0.218751 O\n0.339325 0.167591 0.781249 O\n0.470334 0.621552 0.351989 O\n0.529666 0.378448 0.648011 O\n0.999496 0.607412 0.342408 O\n0.000504 0.392588 0.657592 O\n0.916821 0.966724 0.224732 O\n0.083179 0.033276 0.775268 O\n0.265067 0.981346 0.234511 O\n0.734933 0.018654 0.765489 O\n0.522641 0.674623 0.048839 O\n0.477359 0.325377 0.951161 O\n0.035149 0.665323 0.041538 O\n0.964851 0.334677 0.958462 O\n0.907114 0.283750 0.294468 O\n0.092886 0.716250 0.705532 O\n0.409366 0.291284 0.295282 O\n0.590634 0.708716 0.704718 O\n",
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{
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"structure_string": "Rb4 Li2 V2 O8\n1.0\n2.989997 -5.992703 0.000000\n2.989997 5.992703 0.000000\n0.000000 0.000000 8.007600\nRb Li V O\n4 2 2 8\ndirect\n0.395541 0.604459 0.549141 Rb\n0.604459 0.395541 0.049141 Rb\n0.063757 0.936243 0.411080 Rb\n0.936243 0.063757 0.911080 Rb\n0.200848 0.799152 0.828859 Li\n0.799152 0.200848 0.328859 Li\n0.691270 0.308730 0.610697 V\n0.308730 0.691270 0.110697 V\n0.114656 0.408544 0.217302 O\n0.885344 0.591456 0.717302 O\n0.364750 0.635250 0.909198 O\n0.635250 0.364750 0.409198 O\n0.591456 0.885344 0.217302 O\n0.408544 0.114656 0.717302 O\n0.836003 0.163997 0.577720 O\n0.163997 0.836003 0.077720 O\n",
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{
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{
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"structure_string": "Te2 Mo1 W2 Se2 S2\n1.0\n1.674356 -2.900071 0.000000\n1.674356 2.900071 0.000000\n0.000000 0.000000 31.066463\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.000000 0.000000 0.408316 Te\n0.000000 0.000000 0.285694 Te\n0.000000 0.000000 0.115578 Mo\n0.000000 0.000000 0.578353 W\n0.333333 0.666667 0.347011 W\n0.333333 0.666667 0.062009 Se\n0.333333 0.666667 0.169198 Se\n0.333333 0.666667 0.529396 S\n0.333333 0.666667 0.627287 S\n",
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