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{
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{
"id": "mp-778241",
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"structure_string": "Li2 V3 F8\n1.0\n5.370030 -3.138371 0.000000\n5.370030 3.138371 0.000000\n3.535893 0.000000 5.117036\nLi V F\n2 3 8\ndirect\n0.141173 0.141173 0.141173 Li\n0.858827 0.858827 0.858827 Li\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.570169 0.097357 0.097357 F\n0.097357 0.097357 0.570169 F\n0.097357 0.570169 0.097357 F\n0.596108 0.596108 0.596108 F\n0.403892 0.403892 0.403892 F\n0.902643 0.429831 0.902643 F\n0.902643 0.902643 0.429831 F\n0.429831 0.902643 0.902643 F\n",
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},
{
"id": "mp-770491",
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"structure_string": "Li24 Al8 Ni8 O32\n1.0\n-5.081147 5.081147 6.944172\n5.081147 -5.081147 6.944172\n5.081147 5.081147 -6.944172\nLi Al Ni O\n24 8 8 32\ndirect\n0.937966 0.110254 0.165001 Li\n0.812034 0.139746 0.334999 Li\n0.889746 0.054747 0.827713 Li\n0.522966 0.187966 0.327713 Li\n0.443828 0.286391 0.127562 Li\n0.717639 0.554703 0.130487 Li\n0.860254 0.195253 0.672287 Li\n0.227034 0.062034 0.172287 Li\n0.713609 0.841170 0.157436 Li\n0.445297 0.575784 0.162936 Li\n0.804747 0.477034 0.665001 Li\n0.945253 0.772966 0.834999 Li\n0.412848 0.282361 0.837064 Li\n0.304703 0.674216 0.337064 Li\n0.036391 0.408830 0.342564 Li\n0.683734 0.556172 0.842564 Li\n0.032361 0.695297 0.369513 Li\n0.424216 0.587152 0.869513 Li\n0.591170 0.933734 0.627562 Li\n0.158830 0.316266 0.872438 Li\n0.306172 0.963609 0.372438 Li\n0.325784 0.662848 0.630487 Li\n0.066266 0.693828 0.657436 Li\n0.337152 0.967639 0.662936 Li\n0.747861 0.424160 0.309961 Al\n0.562100 0.252139 0.676299 Al\n0.174160 0.364199 0.176299 Al\n0.575840 0.885801 0.323701 Al\n0.635801 0.812100 0.809961 Al\n0.002139 0.825840 0.190039 Al\n0.114199 0.437900 0.690039 Al\n0.187900 0.997861 0.823701 Al\n0.442053 0.925079 0.992533 Ni\n0.675079 0.182546 0.983026 Ni\n0.550480 0.557947 0.483026 Ni\n0.817454 0.800480 0.492533 Ni\n0.307947 0.324921 0.507467 Ni\n0.074921 0.067454 0.516974 Ni\n0.199520 0.692053 0.016974 Ni\n0.932546 0.449520 0.007467 Ni\n0.830721 0.268419 0.243810 O\n0.336911 0.080721 0.062302 O\n0.593450 0.354308 0.075835 O\n0.866307 0.636551 0.090297 O\n0.883693 0.613449 0.409703 O\n0.647123 0.399062 0.403671 O\n0.413089 0.169279 0.437698 O\n0.363449 0.453746 0.229757 O\n0.526010 0.116307 0.729757 O\n0.919279 0.981581 0.256190 O\n0.149062 0.245391 0.251939 O\n0.756548 0.352877 0.751939 O\n0.645692 0.721527 0.239143 O\n0.104308 0.528473 0.260857 O\n0.482384 0.406550 0.760857 O\n0.600938 0.004609 0.248061 O\n0.725391 0.663089 0.743810 O\n0.386551 0.796254 0.270243 O\n0.223990 0.133693 0.770243 O\n0.731581 0.975391 0.562302 O\n0.471527 0.732384 0.575835 O\n0.102877 0.850938 0.096329 O\n0.995391 0.243452 0.596329 O\n0.203746 0.473990 0.590297 O\n0.546254 0.776010 0.909703 O\n0.754609 0.006548 0.903671 O\n0.278473 0.517616 0.924165 O\n0.156550 0.895692 0.424165 O\n0.018419 0.274609 0.937698 O\n0.024609 0.586911 0.756190 O\n0.267616 0.843450 0.739143 O\n0.993452 0.897123 0.748061 O\n",
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"elements": [
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"formula_full": "Li24 Al8 Ni8 O32",
"formula_reduced": "Li3AlNiO4",
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"energy": -442.45742214,
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},
{
"id": "mp-1114011",
"created_at": "2022-09-04T14:46:02.910995Z",
"structure_string": "Rb2 Na1 Tl1 Br6\n1.0\n0.000000 5.695854 5.695854\n5.695854 0.000000 5.695854\n5.695854 5.695854 0.000000\nRb Na Tl Br\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 Na\n0.000000 0.000000 0.000000 Tl\n0.755940 0.244060 0.244060 Br\n0.244060 0.244060 0.755940 Br\n0.244060 0.755940 0.755940 Br\n0.244060 0.755940 0.244060 Br\n0.755940 0.244060 0.755940 Br\n0.755940 0.755940 0.244060 Br\n",
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"formula_full": "Rb2 Na1 Tl1 Br6",
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{
"id": "mp-1178065",
"created_at": "2022-09-04T14:46:02.120134Z",
"structure_string": "Li19 Mn4 P8 O35 F1\n1.0\n6.781540 0.000000 0.000000\n3.375151 10.099027 0.000000\n3.390113 0.291457 10.227560\nLi Mn P O F\n19 4 8 35 1\ndirect\n0.758035 0.245542 0.238827 Li\n0.258116 0.244915 0.238360 Li\n0.368910 0.488442 0.255471 Li\n0.887663 0.266060 0.485812 Li\n0.873731 0.743559 0.007329 Li\n0.363268 0.013515 0.760585 Li\n0.002320 0.734221 0.259610 Li\n0.504330 0.727381 0.265902 Li\n0.997664 0.265562 0.737788 Li\n0.499029 0.272274 0.731939 Li\n0.499777 0.499344 0.500237 Li\n0.133655 0.990577 0.244180 Li\n0.625507 0.254444 0.992774 Li\n0.648959 0.727217 0.512625 Li\n0.113324 0.509771 0.743375 Li\n0.239452 0.752509 0.763638 Li\n0.743906 0.753507 0.764575 Li\n0.997256 0.999240 0.000348 Li\n0.503115 0.999286 0.000370 Li\n0.238542 0.003939 0.498323 Mn\n0.248002 0.499733 0.000792 Mn\n0.764687 0.999498 0.496384 Mn\n0.749961 0.498643 0.997766 Mn\n0.856124 0.502837 0.276940 P\n0.364993 0.274621 0.501608 P\n0.358645 0.777873 0.003838 P\n0.860305 0.002922 0.778115 P\n0.643380 0.994446 0.219263 P\n0.141393 0.220844 0.995089 P\n0.637631 0.496117 0.721032 P\n0.142165 0.723651 0.498270 P\n0.162206 0.093088 0.081624 O\n0.662990 0.082449 0.093240 O\n0.894109 0.295810 0.030447 O\n0.273860 0.297200 0.033587 O\n0.397039 0.032809 0.296035 O\n0.779420 0.029384 0.295307 O\n0.493739 0.446807 0.061905 O\n0.996392 0.066930 0.440963 O\n0.916946 0.350808 0.309912 O\n0.421884 0.309179 0.352815 O\n0.574229 0.185401 0.538499 O\n0.189758 0.196657 0.541683 O\n0.066703 0.543469 0.203454 O\n0.695882 0.538065 0.191703 O\n0.271067 0.807149 0.152743 O\n0.768555 0.153415 0.807313 O\n0.730122 0.590885 0.395814 O\n0.281609 0.392227 0.591299 O\n0.718673 0.408279 0.602000 O\n0.269014 0.606991 0.407882 O\n0.731773 0.843697 0.190269 O\n0.231920 0.192161 0.845854 O\n0.296916 0.815339 0.462766 O\n0.929057 0.801251 0.458930 O\n0.427623 0.460736 0.806655 O\n0.814730 0.456114 0.794792 O\n0.578981 0.648449 0.687961 O\n0.086050 0.688273 0.646692 O\n0.004043 0.551721 0.936651 O\n0.605628 0.701351 0.965123 O\n0.728867 0.964718 0.700095 O\n0.108288 0.968185 0.702961 O\n0.221559 0.702837 0.968256 O\n0.840829 0.913724 0.903254 O\n0.339336 0.905178 0.916465 O\n0.508837 0.934287 0.551400 F\n",
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"formula_full": "Li19 Mn4 P8 O35 F1",
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{
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"structure_string": "La2 V2 H4 I8 O30\n1.0\n14.283865 0.000000 0.000000\n0.000000 7.254075 0.000000\n0.000000 3.166019 6.643195\nLa V H I O\n2 2 4 8 30\ndirect\n0.743845 0.085365 0.569085 La\n0.243845 0.914635 0.430915 La\n0.571621 0.570907 0.216460 V\n0.071621 0.429093 0.783540 V\n0.943259 0.830157 0.375146 H\n0.443259 0.169843 0.624854 H\n0.030699 0.770586 0.285299 H\n0.530699 0.229414 0.714701 H\n0.610109 0.145753 0.070701 I\n0.110109 0.854247 0.929299 I\n0.497847 0.748964 0.697712 I\n0.997847 0.251036 0.302288 I\n0.835077 0.474508 0.766277 I\n0.335077 0.525492 0.233723 I\n0.801370 0.744348 0.132754 I\n0.301370 0.255652 0.867246 I\n0.653928 0.199065 0.819269 O\n0.153928 0.800935 0.180731 O\n0.719787 0.089013 0.213243 O\n0.219787 0.910987 0.786757 O\n0.591342 0.416343 0.009594 O\n0.091342 0.583657 0.990406 O\n0.589323 0.940117 0.584156 O\n0.089323 0.059883 0.415844 O\n0.493237 0.757293 0.945358 O\n0.993237 0.242707 0.054642 O\n0.899168 0.080309 0.418045 O\n0.399168 0.919691 0.581955 O\n0.771387 0.712370 0.643610 O\n0.271387 0.287630 0.356390 O\n0.954161 0.592197 0.717754 O\n0.454161 0.407803 0.282246 O\n0.829168 0.391842 0.563303 O\n0.329168 0.608158 0.436697 O\n0.843767 0.521116 0.104139 O\n0.343767 0.478884 0.895861 O\n0.676131 0.748877 0.048794 O\n0.176131 0.251123 0.951206 O\n0.837236 0.949339 0.894626 O\n0.337236 0.050661 0.105374 O\n0.641401 0.387190 0.383495 O\n0.141401 0.612810 0.616505 O\n0.541838 0.723001 0.323866 O\n0.041838 0.276999 0.676134 O\n0.961578 0.764719 0.287903 O\n0.461578 0.235281 0.712097 O\n",
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{
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{
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"structure_string": "Li4 Fe4 Sn4 O16\n1.0\n0.000000 -3.504065 4.955496\n6.316308 0.000000 0.000000\n-0.000001 7.142206 5.050302\nLi Fe Sn O\n4 4 4 16\ndirect\n0.000000 0.250000 0.128372 Li\n0.500000 0.750000 0.628372 Li\n0.000000 0.750000 0.871628 Li\n0.500000 0.250000 0.371628 Li\n0.750000 0.250000 0.750000 Fe\n0.250000 0.250000 0.750000 Fe\n0.250000 0.750000 0.250000 Fe\n0.750000 0.750000 0.250000 Fe\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.529019 0.261961 O\n0.500000 0.029019 0.761961 O\n0.000000 0.970982 0.261961 O\n0.500000 0.470982 0.761961 O\n0.000000 0.029018 0.738039 O\n0.500000 0.529018 0.238039 O\n0.000000 0.470981 0.738039 O\n0.500000 0.970981 0.238039 O\n0.232082 0.750000 0.489453 O\n0.732082 0.250000 0.989453 O\n0.767918 0.750000 0.489453 O\n0.267918 0.250000 0.989453 O\n0.767918 0.250000 0.510547 O\n0.267918 0.750000 0.010547 O\n0.232082 0.250000 0.510547 O\n0.732082 0.750000 0.010547 O\n",
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{
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