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{
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"structure_string": "Li3 V12 O29\n1.0\n1.848749 14.226734 0.000000\n-1.848749 14.226734 0.000000\n0.000000 2.501646 10.074658\nLi V O\n3 12 29\ndirect\n0.007272 0.007272 0.675088 Li\n0.733109 0.733109 0.518708 Li\n0.993523 0.993523 0.326039 Li\n0.063585 0.063585 0.921153 V\n0.146841 0.146841 0.661646 V\n0.177226 0.177226 0.983718 V\n0.302547 0.302547 0.795212 V\n0.391047 0.391047 0.532932 V\n0.415379 0.415379 0.855925 V\n0.584752 0.584752 0.143683 V\n0.609031 0.609031 0.466596 V\n0.696137 0.696137 0.210690 V\n0.823277 0.823277 0.021079 V\n0.853393 0.853393 0.340253 V\n0.935900 0.935900 0.079476 V\n0.098940 0.098940 0.085228 O\n0.062754 0.062754 0.759526 O\n0.122768 0.122768 0.493105 O\n0.141093 0.141093 0.837526 O\n0.192877 0.192877 0.158689 O\n0.206390 0.206390 0.601770 O\n0.236045 0.236045 0.880420 O\n0.299525 0.299525 0.639423 O\n0.368237 0.368237 0.365254 O\n0.335377 0.335377 0.964513 O\n0.377464 0.377464 0.713476 O\n0.431117 0.431117 0.037175 O\n0.450262 0.450262 0.485473 O\n0.470341 0.470341 0.749808 O\n0.529771 0.529771 0.249750 O\n0.000452 0.000452 0.997840 O\n0.549763 0.549763 0.516157 O\n0.569964 0.569964 0.962340 O\n0.620981 0.620981 0.288020 O\n0.664912 0.664912 0.035092 O\n0.633869 0.633869 0.635118 O\n0.699645 0.699645 0.368696 O\n0.765797 0.765797 0.119549 O\n0.794799 0.794799 0.394264 O\n0.807114 0.807114 0.838102 O\n0.860611 0.860611 0.162246 O\n0.876763 0.876763 0.509838 O\n0.938961 0.938961 0.238764 O\n0.901577 0.901577 0.913936 O\n",
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{
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{
"id": "mp-554262",
"created_at": "2022-09-04T14:45:41.677421Z",
"structure_string": "Ba18 Rh16 O48\n1.0\n14.532608 -5.111499 0.000000\n14.532608 5.111499 0.000000\n12.734760 0.000000 8.668911\nBa Rh O\n18 16 48\ndirect\n0.697593 0.034630 0.351172 Ba\n0.465370 0.802407 0.148828 Ba\n0.648828 0.302407 0.965370 Ba\n0.851172 0.534630 0.197593 Ba\n0.965370 0.648828 0.302407 Ba\n0.534630 0.197593 0.851172 Ba\n0.302407 0.965370 0.648828 Ba\n0.197593 0.851172 0.534630 Ba\n0.398062 0.101938 0.750000 Ba\n0.148828 0.465370 0.802407 Ba\n0.750000 0.398062 0.101938 Ba\n0.250000 0.601938 0.898062 Ba\n0.351172 0.697593 0.034630 Ba\n0.601938 0.898062 0.250000 Ba\n0.034630 0.351172 0.697593 Ba\n0.802407 0.148828 0.465370 Ba\n0.898062 0.250000 0.601938 Ba\n0.101938 0.750000 0.398062 Ba\n0.120735 0.120735 0.120735 Rh\n0.559732 0.559732 0.559732 Rh\n0.750000 0.750000 0.750000 Rh\n0.440268 0.440268 0.440268 Rh\n0.879265 0.879265 0.879265 Rh\n0.315693 0.315693 0.315693 Rh\n0.684307 0.684307 0.684307 Rh\n0.059732 0.059732 0.059732 Rh\n0.000000 0.000000 0.000000 Rh\n0.184307 0.184307 0.184307 Rh\n0.815693 0.815693 0.815693 Rh\n0.940268 0.940268 0.940268 Rh\n0.379265 0.379265 0.379265 Rh\n0.620735 0.620735 0.620735 Rh\n0.500000 0.500000 0.500000 Rh\n0.250000 0.250000 0.250000 Rh\n0.618615 0.893997 0.837590 O\n0.063046 0.918170 0.749937 O\n0.563046 0.249937 0.418170 O\n0.081830 0.250063 0.936954 O\n0.881385 0.662410 0.606003 O\n0.106003 0.162410 0.381385 O\n0.972788 0.127661 0.810327 O\n0.837590 0.618615 0.893997 O\n0.007900 0.707526 0.829153 O\n0.707526 0.829153 0.007900 O\n0.250063 0.936954 0.081830 O\n0.627661 0.472788 0.310327 O\n0.436954 0.750063 0.581830 O\n0.027212 0.872339 0.189673 O\n0.329153 0.207526 0.507900 O\n0.170847 0.992100 0.292474 O\n0.118615 0.337590 0.393997 O\n0.418170 0.563046 0.249937 O\n0.372339 0.527212 0.689673 O\n0.507900 0.329153 0.207526 O\n0.749937 0.063046 0.918170 O\n0.292474 0.170847 0.992100 O\n0.689673 0.372339 0.527212 O\n0.936954 0.081830 0.250063 O\n0.992100 0.292474 0.170847 O\n0.662410 0.606003 0.881385 O\n0.127661 0.810327 0.972788 O\n0.670847 0.792474 0.492100 O\n0.918170 0.749937 0.063046 O\n0.893997 0.837590 0.618615 O\n0.207526 0.507900 0.329153 O\n0.810327 0.972788 0.127661 O\n0.527212 0.689673 0.372339 O\n0.581830 0.436954 0.750063 O\n0.829153 0.007900 0.707526 O\n0.750063 0.581830 0.436954 O\n0.337590 0.393997 0.118615 O\n0.872339 0.189673 0.027212 O\n0.381385 0.106003 0.162410 O\n0.310327 0.627661 0.472788 O\n0.492100 0.670847 0.792474 O\n0.606003 0.881385 0.662410 O\n0.249937 0.418170 0.563046 O\n0.162410 0.381385 0.106003 O\n0.393997 0.118615 0.337590 O\n0.472788 0.310327 0.627661 O\n0.792474 0.492100 0.670847 O\n0.189673 0.027212 0.872339 O\n",
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"formula_full": "Ba18 Rh16 O48",
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{
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"created_at": "2022-09-04T14:45:41.730690Z",
"structure_string": "Al4 P6 S18\n1.0\n5.136506 8.900921 0.000000\n-5.136506 8.900921 0.000000\n0.000000 1.958213 6.992845\nAl P S\n4 6 18\ndirect\n0.163807 0.487835 0.500861 Al\n0.512165 0.836193 0.499139 Al\n0.816073 0.183927 0.500000 Al\n0.164789 0.835211 0.500000 Al\n0.843926 0.861076 0.344861 P\n0.138924 0.156074 0.655139 P\n0.510684 0.515177 0.344122 P\n0.484823 0.489316 0.655878 P\n0.190099 0.182035 0.343578 P\n0.817965 0.809901 0.656422 P\n0.737333 0.412189 0.261842 S\n0.587811 0.262667 0.738158 S\n0.082410 0.739101 0.286348 S\n0.260899 0.917590 0.713652 S\n0.416484 0.065870 0.269014 S\n0.934130 0.583516 0.730986 S\n0.742276 0.763544 0.263038 S\n0.236456 0.257724 0.736962 S\n0.394494 0.429203 0.271239 S\n0.570797 0.605506 0.728761 S\n0.069195 0.083961 0.285097 S\n0.916039 0.930805 0.714903 S\n0.413199 0.753500 0.285499 S\n0.246500 0.586801 0.714501 S\n0.092692 0.408724 0.263122 S\n0.591276 0.907308 0.736878 S\n0.757562 0.087705 0.271361 S\n0.912295 0.242438 0.728639 S\n",
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{
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"structure_string": "Cr3 Ni1 Sb4\n1.0\n2.018796 -3.496658 0.000000\n2.018796 3.496658 0.000000\n0.000000 0.000000 11.343395\nCr Ni Sb\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.243729 Cr\n0.000000 0.000000 0.756271 Cr\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.887969 Sb\n0.333333 0.666667 0.373428 Sb\n0.666667 0.333333 0.112031 Sb\n0.666667 0.333333 0.626572 Sb\n",
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{
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"structure_string": "Sr1 Hf1 Mg30 O32\n1.0\n8.687001 0.000000 0.000000\n0.000000 8.687001 0.000000\n0.000000 0.000000 8.644591\nSr Hf Mg O\n1 1 30 32\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251672 0.251672 0.000000 Mg\n0.748328 0.251672 0.000000 Mg\n0.251672 0.748328 0.000000 Mg\n0.748328 0.748328 0.000000 Mg\n0.249385 0.249385 0.500000 Mg\n0.750615 0.249385 0.500000 Mg\n0.249385 0.750615 0.500000 Mg\n0.750615 0.750615 0.500000 Mg\n0.253912 0.000000 0.255374 Mg\n0.746088 0.000000 0.255374 Mg\n0.243475 0.500000 0.254500 Mg\n0.756525 0.500000 0.254500 Mg\n0.253912 0.000000 0.744626 Mg\n0.746088 0.000000 0.744626 Mg\n0.243475 0.500000 0.745500 Mg\n0.756525 0.500000 0.745500 Mg\n0.000000 0.253912 0.255374 Mg\n0.500000 0.243475 0.254500 Mg\n0.000000 0.746088 0.255374 Mg\n0.500000 0.756525 0.254500 Mg\n0.000000 0.253912 0.744626 Mg\n0.500000 0.243475 0.745500 Mg\n0.000000 0.746088 0.744626 Mg\n0.500000 0.756525 0.745500 Mg\n0.000000 0.000000 0.270304 O\n0.500000 0.000000 0.254281 O\n0.000000 0.500000 0.254281 O\n0.500000 0.500000 0.245277 O\n0.000000 0.000000 0.729696 O\n0.500000 0.000000 0.745719 O\n0.000000 0.500000 0.745719 O\n0.500000 0.500000 0.754723 O\n0.250448 0.250448 0.249617 O\n0.749552 0.250448 0.249617 O\n0.250448 0.749552 0.249617 O\n0.749552 0.749552 0.249617 O\n0.250448 0.250448 0.750383 O\n0.749552 0.250448 0.750383 O\n0.250448 0.749552 0.750383 O\n0.749552 0.749552 0.750383 O\n0.269700 0.000000 0.000000 O\n0.730300 0.000000 0.000000 O\n0.246697 0.500000 0.000000 O\n0.753303 0.500000 0.000000 O\n0.254346 0.000000 0.500000 O\n0.745654 0.000000 0.500000 O\n0.252347 0.500000 0.500000 O\n0.747653 0.500000 0.500000 O\n0.000000 0.269700 0.000000 O\n0.500000 0.246697 0.000000 O\n0.000000 0.730300 0.000000 O\n0.500000 0.753303 0.000000 O\n0.000000 0.254346 0.500000 O\n0.500000 0.252347 0.500000 O\n0.000000 0.745654 0.500000 O\n0.500000 0.747653 0.500000 O\n",
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{
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{
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{
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{
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{
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}