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{
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{
"id": "mp-768397",
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"structure_string": "Li24 Ti5 Cr7 O36\n1.0\n5.069727 0.000000 0.000000\n-0.851179 9.752148 0.000000\n-2.521144 -1.899880 12.979256\nLi Ti Cr O\n24 5 7 36\ndirect\n0.170805 0.000153 0.831644 Li\n0.045456 0.999776 0.613902 Li\n0.997830 0.751282 0.249776 Li\n0.334246 0.750337 0.917665 Li\n0.048931 0.499026 0.112470 Li\n0.379848 0.500231 0.778998 Li\n0.170777 0.499358 0.333680 Li\n0.500296 0.500639 0.999735 Li\n0.283963 0.500821 0.554667 Li\n0.333172 0.250024 0.417478 Li\n0.508146 0.999717 0.498236 Li\n0.280653 0.999016 0.052621 Li\n0.614363 0.998395 0.719035 Li\n0.382698 0.998438 0.280212 Li\n0.719914 0.001753 0.948254 Li\n0.665517 0.749563 0.582930 Li\n0.709552 0.499297 0.445873 Li\n0.838984 0.500192 0.664686 Li\n0.623037 0.502034 0.222361 Li\n0.949117 0.499065 0.887151 Li\n0.666106 0.250275 0.082352 Li\n0.828425 0.999629 0.167644 Li\n0.000335 0.250065 0.750165 Li\n0.949740 0.000762 0.387733 Li\n0.107757 0.746720 0.472590 Ti\n0.221684 0.248430 0.191846 Ti\n0.444221 0.248915 0.640584 Ti\n0.778268 0.749580 0.806212 Ti\n0.777336 0.251327 0.306410 Ti\n0.110020 0.250314 0.968274 Cr\n0.225676 0.750853 0.695325 Cr\n0.559417 0.250916 0.864248 Cr\n0.446153 0.751575 0.134950 Cr\n0.550252 0.749498 0.358465 Cr\n0.889434 0.249927 0.527495 Cr\n0.893872 0.750826 0.030864 Cr\n0.000930 0.862580 0.931166 O\n0.073961 0.635083 0.784863 O\n0.004085 0.363180 0.430114 O\n0.141830 0.362329 0.643958 O\n0.258121 0.364876 0.883369 O\n0.332968 0.863028 0.597654 O\n0.068987 0.133600 0.284636 O\n0.183063 0.137442 0.522793 O\n0.409077 0.136069 0.949081 O\n0.135605 0.862129 0.141213 O\n0.270248 0.864511 0.380787 O\n0.472791 0.862601 0.810424 O\n0.335094 0.137311 0.739603 O\n0.197513 0.637190 0.026637 O\n0.399387 0.633259 0.451960 O\n0.521026 0.636837 0.690100 O\n0.337144 0.640234 0.238575 O\n0.667826 0.637162 0.906384 O\n0.332833 0.362238 0.093286 O\n0.666836 0.363117 0.764121 O\n0.476694 0.363866 0.310110 O\n0.603070 0.363942 0.547717 O\n0.802970 0.362623 0.974590 O\n0.664850 0.862107 0.258677 O\n0.522774 0.135763 0.189354 O\n0.737920 0.134224 0.619248 O\n0.864913 0.138037 0.859237 O\n0.592283 0.865370 0.049660 O\n0.806255 0.861795 0.474558 O\n0.929975 0.865730 0.715143 O\n0.663737 0.137622 0.406128 O\n0.742887 0.636021 0.116064 O\n0.852105 0.637567 0.355441 O\n0.997478 0.637643 0.572983 O\n0.929881 0.366802 0.215021 O\n0.996888 0.137385 0.068811 O\n",
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{
"id": "mp-754832",
"created_at": "2022-09-04T14:39:41.293752Z",
"structure_string": "Li3 Co5 O1 F11\n1.0\n5.180601 -0.041122 0.057058\n-2.552105 1.551556 4.680204\n2.700577 -7.623018 4.720496\nLi Co O F\n3 5 1 11\ndirect\n0.022482 0.035200 0.999390 Li\n0.530531 0.298901 0.266230 Li\n0.508408 0.764303 0.760959 Li\n0.978071 0.495422 0.498020 Co\n0.312762 0.771829 0.146084 Co\n0.303086 0.232603 0.647615 Co\n0.770910 0.004755 0.401102 Co\n0.808510 0.507415 0.906521 Co\n0.602823 0.253865 0.457060 O\n0.079652 0.854774 0.352224 F\n0.223586 0.423944 0.288688 F\n0.208031 0.898643 0.802816 F\n0.406955 0.159272 0.042144 F\n0.377234 0.638198 0.542606 F\n0.098082 0.346564 0.847067 F\n0.911955 0.599672 0.103104 F\n0.596040 0.749821 0.950672 F\n0.709500 0.002332 0.195112 F\n0.709020 0.506285 0.709090 F\n0.892119 0.080602 0.608373 F\n",
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{
"id": "mp-685249",
"created_at": "2022-09-04T14:39:41.411553Z",
"structure_string": "K12 Os6 O30\n1.0\n8.405953 0.000000 0.000000\n-0.153993 10.943889 0.000000\n-0.289867 -5.419416 9.594448\nK Os O\n12 6 30\ndirect\n0.996219 0.034189 0.698162 K\n0.010688 0.658688 0.956770 K\n0.737691 0.349451 0.682842 K\n0.256809 0.318380 0.656774 K\n0.268326 0.987656 0.994743 K\n0.442651 0.666458 0.619746 K\n0.997203 0.280313 0.310721 K\n0.742717 0.655992 0.321251 K\n0.234985 0.650610 0.329837 K\n0.487039 0.372182 0.028646 K\n0.554875 0.966022 0.342224 K\n0.736588 0.989034 0.985180 K\n0.500563 0.031199 0.696904 Os\n0.506274 0.674534 0.971731 Os\n0.003715 0.667841 0.635558 Os\n0.496375 0.304733 0.329189 Os\n0.992454 0.375822 0.020518 Os\n0.005483 0.954426 0.326052 Os\n0.000542 0.202703 0.998712 O\n0.685442 0.110746 0.786599 O\n0.322966 0.119669 0.776647 O\n0.004625 0.313614 0.833220 O\n0.493248 0.483312 0.867075 O\n0.325971 0.680250 0.882539 O\n0.688997 0.682339 0.898113 O\n0.509768 0.132185 0.604774 O\n0.010847 0.803512 0.818151 O\n0.964041 0.537998 0.688595 O\n0.046311 0.137847 0.453954 O\n0.492671 0.399284 0.519673 O\n0.488913 0.934257 0.793499 O\n0.816728 0.677961 0.566578 O\n0.674896 0.223199 0.341650 O\n0.312963 0.215227 0.314909 O\n0.966289 0.994026 0.188350 O\n0.128296 0.787573 0.604870 O\n0.119344 0.532999 0.499694 O\n0.496850 0.868878 0.534654 O\n0.495262 0.470384 0.328690 O\n0.510074 0.210910 0.139109 O\n0.853694 0.955915 0.441188 O\n0.978242 0.455900 0.210102 O\n0.941685 0.770533 0.215334 O\n0.204297 0.906878 0.336904 O\n0.175028 0.475235 0.048959 O\n0.805316 0.449165 0.015904 O\n0.510839 0.664477 0.130200 O\n0.505202 0.866694 0.073706 O\n",
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{
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{
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{
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"structure_string": "Rb1 Li3 S2 O9\n1.0\n5.076044 0.020505 -0.017305\n0.023236 5.022528 -1.392002\n-0.023970 0.023435 8.353699\nRb Li S O\n1 3 2 9\ndirect\n0.509214 0.574628 0.221773 Rb\n0.504054 0.139953 0.594981 Li\n0.996899 0.985111 0.994935 Li\n0.007013 0.763432 0.598917 Li\n0.504560 0.740634 0.804903 S\n0.003272 0.163391 0.386773 S\n0.140703 0.061277 0.517181 O\n0.628007 0.814840 0.661356 O\n0.714815 0.119887 0.395856 O\n0.542695 0.450376 0.787496 O\n0.058766 0.451443 0.413457 O\n0.105056 0.015125 0.220687 O\n0.215734 0.798796 0.803728 O\n0.621711 0.894916 0.963659 O\n0.005603 0.355890 0.955997 O\n",
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{
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"structure_string": "Ba2 Ti3 Tl2 Zn2 O10\n1.0\n3.867134 0.000000 0.000000\n0.000279 3.879864 0.000000\n-1.144992 -0.947763 19.907527\nBa Ti Tl Zn O\n2 3 2 2 10\ndirect\n0.113475 0.170059 0.320973 Ba\n0.778773 0.815616 0.676725 Ba\n0.337226 0.338254 0.820431 Ti\n0.574448 0.613472 0.178281 Ti\n0.357745 0.587371 0.001704 Ti\n0.707454 0.723605 0.439863 Tl\n0.252173 0.265007 0.557697 Tl\n0.862736 0.857256 0.895105 Zn\n0.042705 0.092187 0.103153 Zn\n0.351546 0.841646 0.845098 O\n0.307758 0.331109 0.731177 O\n0.845799 0.321843 0.842667 O\n0.806808 0.749291 0.554061 O\n0.827843 0.620843 0.981187 O\n0.071597 0.603118 0.151612 O\n0.579097 0.636370 0.267718 O\n0.595937 0.107765 0.159023 O\n0.274736 0.236068 0.443221 O\n0.313233 0.107082 0.021271 O\n",
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{
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"structure_string": "Li4 Ti2 Mn3 Fe3 O16\n1.0\n-5.892245 0.000000 0.000000\n2.911984 5.148002 0.000000\n-0.056031 -0.203120 -9.524957\nLi Ti Mn Fe O\n4 2 3 3 16\ndirect\n0.664038 0.321341 0.897474 Li\n0.998796 0.004187 0.994246 Li\n0.998843 0.007179 0.494616 Li\n0.337681 0.662033 0.396422 Li\n0.667944 0.340232 0.494286 Ti\n0.332181 0.664424 0.994638 Ti\n0.829933 0.173213 0.215471 Mn\n0.660560 0.828336 0.713719 Mn\n0.168777 0.343909 0.716055 Mn\n0.828643 0.659817 0.214552 Fe\n0.340309 0.171729 0.215048 Fe\n0.174042 0.835153 0.716058 Fe\n0.834000 0.672070 0.593047 O\n0.524748 0.480422 0.346640 O\n0.669904 0.324579 0.105249 O\n0.995879 0.007611 0.306589 O\n0.996935 0.012386 0.805345 O\n0.336354 0.172482 0.596990 O\n0.964056 0.472858 0.337446 O\n0.532642 0.039978 0.339957 O\n0.164053 0.828405 0.088735 O\n0.854002 0.197951 0.592385 O\n0.482969 0.952182 0.843922 O\n0.035977 0.512524 0.837779 O\n0.335834 0.656302 0.608682 O\n0.663805 0.837531 0.095718 O\n0.452080 0.488369 0.847658 O\n0.155315 0.333097 0.099115 O\n",
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"formula_full": "Li4 Ti2 Mn3 Fe3 O16",
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{
"id": "mp-690570",
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"structure_string": "Ni4 Bi9 O18\n1.0\n8.452829 0.000000 0.000000\n-2.168887 8.227673 0.000000\n-2.914515 -3.954274 7.179782\nNi Bi O\n4 9 18\ndirect\n0.275587 0.462525 0.169928 Ni\n0.484415 0.179725 0.272542 Ni\n0.789970 0.667055 0.504039 Ni\n0.700363 0.503169 0.812583 Ni\n0.847384 0.180656 0.677371 Bi\n0.017718 0.010282 0.999285 Bi\n0.687584 0.865971 0.156021 Bi\n0.176455 0.660371 0.881836 Bi\n0.841439 0.374001 0.185081 Bi\n0.362335 0.224953 0.826023 Bi\n0.205631 0.353949 0.481855 Bi\n0.527058 0.823413 0.685893 Bi\n0.150728 0.819994 0.328903 Bi\n0.964859 0.637138 0.989342 O\n0.661443 0.076768 0.354139 O\n0.363574 0.648331 0.101800 O\n0.289343 0.964424 0.036704 O\n0.109621 0.314820 0.694309 O\n0.661300 0.406414 0.315926 O\n0.695074 0.016420 0.998024 O\n0.902134 0.675557 0.324440 O\n0.389442 0.649912 0.768286 O\n0.877037 0.933233 0.636521 O\n0.300165 0.951021 0.648417 O\n0.664663 0.344409 0.926552 O\n0.431695 0.307624 0.634794 O\n0.245782 0.604362 0.382331 O\n0.713053 0.661210 0.700787 O\n0.019110 0.271099 0.985453 O\n0.003717 0.025911 0.274406 O\n0.291320 0.270286 0.251411 O\n",
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"formula_full": "Ni4 Bi9 O18",
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{
"id": "mp-532701",
"created_at": "2022-09-04T14:39:41.604395Z",
"structure_string": "Na6 Mg6 In2 S12 O48\n1.0\n7.654019 -0.018025 4.733094\n2.629985 7.186096 4.730794\n-0.057134 -0.045576 18.013886\nNa Mg In S O\n6 6 2 12 48\ndirect\n0.999666 0.997913 0.000849 Na\n0.020339 0.003623 0.492086 Na\n0.496472 0.523694 0.237491 Na\n0.594685 0.241248 0.441779 Na\n0.469560 0.499942 0.761391 Na\n0.874460 0.598030 0.620495 Na\n0.349570 0.350120 0.180456 Mg\n0.145981 0.141206 0.574154 Mg\n0.357134 0.352231 0.675412 Mg\n0.649003 0.656546 0.324390 Mg\n0.856595 0.847513 0.418851 Mg\n0.646054 0.647114 0.825579 Mg\n0.148009 0.146061 0.075451 In\n0.850042 0.849641 0.926025 In\n0.047643 0.746275 0.226109 S\n0.455791 0.051621 0.374826 S\n0.745234 0.451649 0.024616 S\n0.250304 0.545520 0.478008 S\n0.547640 0.951474 0.127804 S\n0.046035 0.746726 0.722788 S\n0.949186 0.251972 0.276081 S\n0.451520 0.048776 0.873079 S\n0.750040 0.450697 0.524356 S\n0.253981 0.545182 0.977046 S\n0.543174 0.952809 0.626352 S\n0.958731 0.249917 0.771401 S\n0.970356 0.215442 0.198465 O\n0.207414 0.398543 0.985251 O\n0.400843 0.968147 0.104509 O\n0.107088 0.291250 0.256011 O\n0.293124 0.497570 0.057247 O\n0.061779 0.910273 0.136285 O\n0.498984 0.111488 0.148160 O\n0.225906 0.590288 0.212816 O\n0.280978 0.067891 0.456043 O\n0.989568 0.209728 0.693790 O\n0.432017 0.226978 0.294752 O\n0.587403 0.424834 0.111502 O\n0.218484 0.382198 0.495691 O\n0.082289 0.716084 0.468823 O\n0.388754 0.988338 0.604712 O\n0.112893 0.292340 0.754313 O\n0.909995 0.274957 0.030368 O\n0.412343 0.568389 0.390584 O\n0.286378 0.516370 0.556596 O\n0.574960 0.775888 0.206408 O\n0.064371 0.910736 0.637352 O\n0.724497 0.939495 0.045203 O\n0.513029 0.109235 0.645110 O\n0.221700 0.587146 0.713514 O\n0.770187 0.408960 0.291466 O\n0.499640 0.892942 0.353627 O\n0.273966 0.060324 0.954947 O\n0.928632 0.087360 0.363234 O\n0.425807 0.224709 0.794835 O\n0.704249 0.485732 0.447381 O\n0.590404 0.430940 0.612704 O\n0.090178 0.723389 0.969436 O\n0.894109 0.700727 0.245130 O\n0.608833 0.025215 0.396820 O\n0.913281 0.276848 0.533264 O\n0.794670 0.607503 0.506471 O\n0.412419 0.571239 0.889447 O\n0.571791 0.773245 0.704948 O\n0.017373 0.796716 0.299908 O\n0.721228 0.930553 0.544042 O\n0.781680 0.412856 0.781378 O\n0.500271 0.890081 0.851381 O\n0.937269 0.088743 0.860721 O\n0.706600 0.500762 0.943776 O\n0.890771 0.703648 0.740091 O\n0.597011 0.029028 0.898133 O\n0.790866 0.598544 0.016868 O\n0.013762 0.786827 0.802111 O\n",
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],
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"formula_full": "Na6 Mg6 In2 S12 O48",
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"energy": -477.12595207,
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"spacegroup": 1
},
{
"id": "mp-1176367",
"created_at": "2022-09-04T14:39:41.761557Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.739756 0.000000 0.000000\n-0.109202 8.807782 0.000000\n-0.038372 -0.209785 10.201560\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.245235 0.917002 0.878391 Na\n0.245117 0.915244 0.378700 Na\n0.997809 0.745815 0.123198 Na\n0.501679 0.745273 0.121889 Na\n0.501799 0.251252 0.875492 Na\n0.501977 0.253341 0.375391 Na\n0.031190 0.725656 0.613547 Li\n0.466909 0.726837 0.613405 Li\n0.972546 0.271837 0.889176 Li\n0.976861 0.272745 0.386561 Li\n0.770664 0.085369 0.628968 Li\n0.767901 0.096043 0.125985 Li\n0.748911 0.639796 0.880474 Mn\n0.749506 0.640260 0.394959 Mn\n0.242666 0.350772 0.615166 Mn\n0.243469 0.359207 0.109841 Mn\n0.243240 0.587450 0.848218 P\n0.243993 0.583333 0.360925 P\n0.752654 0.408037 0.648002 P\n0.751919 0.406431 0.145157 P\n0.760460 0.956456 0.864511 C\n0.760869 0.955520 0.365997 C\n0.249708 0.046561 0.631326 C\n0.247526 0.060851 0.134095 C\n0.251034 0.898430 0.638102 O\n0.253430 0.914622 0.145370 O\n0.754918 0.921012 0.988099 O\n0.754646 0.920571 0.488461 O\n0.747013 0.851544 0.773114 O\n0.749615 0.847027 0.275750 O\n0.064537 0.683317 0.894628 O\n0.433174 0.672991 0.895976 O\n0.065947 0.680765 0.409323 O\n0.433073 0.670155 0.412219 O\n0.244109 0.579885 0.693799 O\n0.753408 0.575495 0.598927 O\n0.246398 0.575762 0.207919 O\n0.748203 0.566744 0.085293 O\n0.232160 0.422149 0.899449 O\n0.774800 0.417203 0.800480 O\n0.231746 0.418794 0.411342 O\n0.774911 0.424644 0.297651 O\n0.559931 0.319233 0.610960 O\n0.924108 0.311650 0.589293 O\n0.561517 0.311838 0.112882 O\n0.924890 0.308604 0.089956 O\n0.245175 0.130980 0.737362 O\n0.238932 0.148762 0.237886 O\n0.251600 0.112627 0.518967 O\n0.249479 0.121234 0.018948 O\n0.778941 0.097553 0.829888 O\n0.777697 0.095323 0.328586 O\n",
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"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
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}
]
}