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{
"id": "jvasp-21872",
"created_at": "2022-09-04T14:37:29.202987Z",
"updated_at": "2022-09-04T14:37:29.203007Z",
"structure_string": "Na2 Pd6 O8\n1.0\n5.711349 0.000000 0.000000\n-0.000000 5.711349 -0.000000\n0.000000 -0.000000 5.711349\nNa Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.750000 0.000000 0.500000 Pd\n0.000000 0.500000 0.250000 Pd\n0.000000 0.500000 0.750000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.250000 O\n0.750000 0.250000 0.750000 O\n0.250000 0.750000 0.750000 O\n",
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{
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"structure_string": "Ba1 Sr2 Te1\n1.0\n4.171839 -0.000000 -0.000000\n-0.000000 4.171839 0.000000\n-0.000000 0.000000 10.703823\nBa Sr Te\n1 2 1\ndirect\n0.500000 0.500000 0.683993 Ba\n0.000000 0.000000 0.012515 Sr\n0.500000 0.500000 0.316346 Sr\n0.000000 0.000000 0.487144 Te\n",
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{
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"updated_at": "2022-09-04T14:36:49.779153Z",
"structure_string": "Li3 Ti2 Mn3 O10\n1.0\n4.983547 -0.100932 -0.078824\n0.896132 5.126522 0.015799\n2.079359 1.540059 7.241780\nLi Ti Mn O\n3 2 3 10\ndirect\n0.508630 0.761164 0.401739 Li\n-0.000000 0.500000 0.500000 Li\n0.491370 0.238836 0.598261 Li\n0.031577 0.878427 0.683954 Ti\n0.968423 0.121573 0.316047 Ti\n0.500000 0.000000 0.000000 Mn\n0.990723 0.314173 0.893134 Mn\n0.009278 0.685827 0.106867 Mn\n0.213622 0.125129 0.473617 O\n0.745784 0.192234 0.784985 O\n0.767248 0.432257 0.354308 O\n0.232753 0.567743 0.645692 O\n0.240255 0.002523 0.847156 O\n0.786379 0.874871 0.526383 O\n0.807672 0.658242 0.927337 O\n0.192329 0.341757 0.072664 O\n0.254216 0.807766 0.215015 O\n0.759746 -0.002523 0.152845 O\n",
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"volume": 186.27680704337544,
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"formula_full": "Li3 Ti2 Mn3 O10",
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{
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"created_at": "2022-09-04T14:35:45.676756Z",
"updated_at": "2022-09-04T14:35:45.676767Z",
"structure_string": "Rb1 Ta1 P2 O8\n1.0\n5.027089 -0.035885 0.273621\n2.290206 4.475251 0.273621\n0.064195 0.038947 8.254241\nRb Ta P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n-0.000001 0.000000 0.500000 Ta\n0.637108 0.637108 0.707456 P\n0.362892 0.362892 0.292544 P\n0.319155 0.319154 0.121870 O\n0.773809 0.300449 0.665088 O\n0.226192 0.699551 0.334912 O\n0.300449 0.773809 0.665088 O\n0.699551 0.226191 0.334912 O\n0.680846 0.680846 0.878129 O\n0.220783 0.220783 0.423733 O\n0.779217 0.779216 0.576267 O\n",
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{
"id": "jvasp-28548",
"created_at": "2022-09-04T14:37:52.579444Z",
"updated_at": "2022-09-04T14:37:52.579470Z",
"structure_string": "Te2 Mo2 W1 S4\n1.0\n3.309115 0.000000 0.000000\n-1.654557 2.853440 -0.264939\n0.000000 -1.994817 19.912164\nTe Mo W S\n2 2 1 4\ndirect\n0.712898 0.425800 0.583408 Te\n0.843458 0.686919 0.778862 Te\n0.340061 0.680123 0.024133 Mo\n0.444850 0.889704 0.681150 Mo\n0.548384 0.096769 0.335649 W\n0.267350 0.534703 0.413963 S\n0.621395 0.242792 0.946284 S\n0.725328 0.450657 0.101898 S\n0.162864 0.325728 0.257491 S\n",
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{
"id": "jvasp-42970",
"created_at": "2022-09-04T14:37:27.059933Z",
"updated_at": "2022-09-04T14:37:27.059941Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.564269 -0.043406 0.002946\n0.046435 5.494932 0.062538\n0.050285 0.539108 7.431700\nMn O F\n6 8 4\ndirect\n0.500001 0.499999 0.000000 Mn\n0.537997 0.842117 0.660075 Mn\n0.462005 0.157883 0.339925 Mn\n0.007876 0.325903 0.687661 Mn\n0.992126 0.674096 0.312340 Mn\n0.000000 0.000000 0.000000 Mn\n0.197075 0.293642 0.906041 O\n0.196152 0.953890 0.223616 O\n0.304591 0.457340 0.230472 O\n0.302198 0.127170 0.569090 O\n0.695411 0.542660 0.769528 O\n0.802927 0.706358 0.093959 O\n0.803850 0.046110 0.776385 O\n0.697804 0.872830 0.430911 O\n0.297313 0.803401 0.882617 F\n0.805416 0.371040 0.439144 F\n0.702689 0.196598 0.117384 F\n0.194587 0.628959 0.560856 F\n",
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"formula_full": "Mn6 O8 F4",
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{
"id": "jvasp-44230",
"created_at": "2022-09-04T14:38:11.264995Z",
"updated_at": "2022-09-04T14:38:11.265027Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.572881 0.010811 0.025174\n0.209724 5.459338 0.073303\n0.179182 0.614803 7.469915\nMn O F\n6 8 4\ndirect\n0.486262 0.508086 0.994291 Mn\n0.500668 0.825881 0.661828 Mn\n0.508794 0.184502 0.353435 Mn\n-0.000524 0.333167 0.672818 Mn\n0.976209 0.655910 0.319520 Mn\n0.023964 0.990953 -0.001370 Mn\n0.185843 0.281388 0.897982 O\n0.298154 0.788042 0.889846 O\n0.304513 0.464611 0.228869 O\n0.303484 0.130879 0.569384 O\n0.688169 0.533266 0.769568 O\n0.810623 0.710898 0.102716 O\n0.805627 0.378787 0.437163 O\n0.707995 0.879858 0.436611 O\n0.198754 0.638700 0.550859 F\n0.783886 0.026379 0.769874 F\n0.702881 0.201819 0.104435 F\n0.214683 0.966872 0.242164 F\n",
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{
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"created_at": "2022-09-04T14:37:13.805416Z",
"updated_at": "2022-09-04T14:37:13.805443Z",
"structure_string": "Rb2 Fe2 F8\n1.0\n5.382687 -0.000000 0.000000\n-0.000000 5.382687 -0.000000\n-0.000000 -0.000000 6.427659\nRb Fe F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.295647 F\n0.000000 0.000000 0.704353 F\n0.500000 0.500000 0.704353 F\n0.000000 0.000000 0.295647 F\n0.320953 0.820953 0.000000 F\n0.179048 0.320953 0.000000 F\n0.820953 0.679048 0.000000 F\n0.679048 0.179048 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:36:42.272902Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.087389 0.105366 0.267174\n1.717864 4.080267 0.230123\n0.312191 -0.297183 11.300476\nZn H C O\n1 10 7 4\ndirect\n0.954397 0.035467 0.197310 Zn\n0.248531 0.801334 0.583089 H\n0.188051 0.782163 0.812992 H\n0.882310 0.598125 0.811206 H\n0.349884 0.123143 0.689771 H\n0.657198 0.304009 0.693826 H\n0.625455 0.265345 0.911711 H\n0.316418 0.088179 0.914183 H\n0.741343 0.277437 0.479377 H\n0.404585 0.146977 0.456513 H\n0.943863 0.618682 0.575316 H\n0.379757 0.563019 0.354094 C\n0.452363 0.370548 0.469223 C\n0.230849 0.560579 0.579991 C\n0.367551 0.364337 0.692865 C\n0.171364 0.541524 0.808853 C\n0.334127 0.328607 0.915614 C\n0.187331 0.471550 0.038670 C\n0.019145 0.786148 0.049540 O\n0.606826 0.477828 0.264053 O\n0.081196 0.819488 0.351970 O\n0.256180 0.268489 0.125207 O\n",
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"structure_string": "Ba1 Y2 F8\n1.0\n5.421802 0.000000 0.000000\n0.000000 5.421657 0.000000\n0.000000 0.000000 6.334952\nBa Y F\n1 2 8\ndirect\n0.000000 0.999692 0.500000 Ba\n0.500000 0.999652 0.000000 Y\n0.000000 0.499659 0.000000 Y\n0.752715 0.246955 0.799276 F\n0.247284 0.246955 0.200724 F\n0.752715 0.246955 0.200724 F\n0.247284 0.246955 0.799276 F\n0.752714 0.752385 0.799273 F\n0.752714 0.752385 0.200727 F\n0.247286 0.752385 0.799273 F\n0.247286 0.752385 0.200727 F\n",
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{
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}