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{
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{
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"structure_string": "Rb4 Ti2 Si6 O18\n1.0\n3.465199 -6.001901 -0.000000\n3.465199 6.001901 0.000000\n0.000000 0.000000 10.084069\nRb Ti Si O\n4 2 6 18\ndirect\n0.666667 0.333333 0.558456 Rb\n0.333333 0.666667 0.058456 Rb\n0.333333 0.666667 0.441544 Rb\n0.666667 0.333333 0.941544 Rb\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.134291 0.757248 0.750000 Si\n0.757248 0.622957 0.250000 Si\n0.377043 0.134291 0.250000 Si\n0.242752 0.377043 0.750000 Si\n0.865709 0.242752 0.250000 Si\n0.622957 0.865709 0.750000 Si\n0.245385 0.030081 0.387293 O\n0.506515 0.589617 0.750000 O\n0.493485 0.410383 0.250000 O\n0.916897 0.506515 0.250000 O\n0.410383 0.916897 0.750000 O\n0.030082 0.784697 0.887293 O\n0.784697 0.754616 0.387293 O\n0.754616 0.969919 0.887293 O\n0.245385 0.030081 0.112707 O\n0.969919 0.215303 0.387293 O\n0.969919 0.215303 0.112707 O\n0.215303 0.245385 0.612707 O\n0.754616 0.969919 0.612707 O\n0.083103 0.493485 0.750000 O\n0.784697 0.754616 0.112707 O\n0.030082 0.784697 0.612707 O\n0.215303 0.245385 0.887293 O\n0.589617 0.083104 0.250000 O\n",
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{
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"updated_at": "2022-09-04T14:37:39.929950Z",
"structure_string": "Ba2 Al2 Si8 N10 O6\n1.0\n-0.000000 0.000000 -5.674543\n0.000000 -6.898558 2.837271\n-9.459789 0.000000 0.000000\nBa Al Si N O\n2 2 8 10 6\ndirect\n0.974355 0.948712 0.486836 Ba\n0.025645 0.051288 0.986837 Ba\n0.471161 0.942323 0.256829 Al\n0.528839 0.057678 0.756829 Al\n0.710904 0.421809 0.545902 Si\n0.289096 0.578192 0.045902 Si\n0.576469 0.655207 0.768228 Si\n0.078738 0.655207 0.768228 Si\n0.921261 0.344793 0.268228 Si\n0.702303 0.404606 0.988663 Si\n0.297697 0.595394 0.488663 Si\n0.423530 0.344793 0.268228 Si\n0.975297 0.447359 0.099674 N\n0.527938 0.552641 0.599674 N\n0.024703 0.552641 0.599674 N\n0.472062 0.447359 0.099674 N\n0.290434 0.580870 0.860432 N\n0.592267 0.184535 0.920647 N\n0.800168 0.600336 0.864692 N\n0.199832 0.399665 0.364692 N\n0.407733 0.815466 0.420647 N\n0.709566 0.419131 0.360432 N\n0.400648 0.801297 0.101010 O\n0.800377 0.106024 0.247692 O\n0.305646 0.106024 0.247692 O\n0.199622 0.893976 0.747692 O\n0.694354 0.893976 0.747692 O\n0.599352 0.198704 0.601010 O\n",
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{
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"created_at": "2022-09-04T14:38:50.435128Z",
"updated_at": "2022-09-04T14:38:50.435155Z",
"structure_string": "Li2 Mn2 F8\n1.0\n5.176212 -0.007004 -1.918553\n-2.466885 4.531057 -1.964195\n-0.014521 0.007004 5.520308\nLi Mn F\n2 2 8\ndirect\n0.000062 0.750000 0.250062 Li\n-0.000063 0.249999 0.749937 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.695681 0.945719 0.749962 F\n0.304243 0.554282 0.749962 F\n0.209532 0.000027 0.709560 F\n0.790468 -0.000027 0.290441 F\n0.209532 0.499973 0.209505 F\n0.790467 0.500028 0.790495 F\n0.304318 0.054282 0.250038 F\n0.695756 0.445719 0.250038 F\n",
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"formula_full": "Li2 Mn2 F8",
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{
"id": "jvasp-50681",
"created_at": "2022-09-04T14:37:18.942988Z",
"updated_at": "2022-09-04T14:37:18.943014Z",
"structure_string": "Li4 Ag2 F10\n1.0\n-5.221233 -0.828547 0.000496\n3.481353 4.998463 -0.000998\n-0.000400 -0.002201 -8.759756\nLi Ag F\n4 2 10\ndirect\n0.147419 0.901542 0.922020 Li\n0.147452 0.901576 0.577997 Li\n-0.147464 0.098404 0.421989 Li\n-0.147454 0.098427 0.077996 Li\n0.680238 0.465538 0.250001 Ag\n0.319753 0.534465 0.750000 Ag\n0.557869 0.180272 0.408704 F\n0.557934 0.180348 0.091245 F\n0.825777 0.758395 0.409651 F\n0.825812 0.758423 0.090386 F\n0.897782 0.687891 0.750006 F\n0.102208 0.312076 0.249992 F\n0.174204 0.241601 0.909615 F\n0.174269 0.241642 0.590341 F\n0.442143 0.819739 0.591300 F\n0.442056 0.819652 0.908760 F\n",
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"updated_at": "2022-09-04T14:37:47.586694Z",
"structure_string": "U2 P4 S12\n1.0\n6.886763 -0.000000 0.000000\n0.000000 6.886763 0.000000\n0.000000 0.000000 9.739793\nU P S\n2 4 12\ndirect\n0.000000 0.000000 0.750000 U\n0.000000 0.000000 0.250000 U\n0.062164 0.344306 0.500000 P\n0.937835 0.655694 0.500000 P\n0.344306 0.937835 0.000000 P\n0.655694 0.062164 0.000000 P\n0.780895 0.688041 0.324675 S\n0.311959 0.780895 0.824674 S\n0.688041 0.219104 0.824674 S\n0.219104 0.311959 0.324675 S\n0.831126 0.820551 0.000000 S\n0.168874 0.179449 0.000000 S\n0.820551 0.168874 0.500000 S\n0.780895 0.688041 0.675325 S\n0.688041 0.219104 0.175325 S\n0.219104 0.311959 0.675325 S\n0.179449 0.831126 0.500000 S\n0.311959 0.780895 0.175325 S\n",
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{
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"created_at": "2022-09-04T14:36:56.882670Z",
"updated_at": "2022-09-04T14:36:56.882732Z",
"structure_string": "Li1 Mn1 F4\n1.0\n4.541280 0.020520 0.000000\n-0.200788 4.536886 0.000000\n-0.000000 -0.000000 3.138187\nLi Mn F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500001 0.500000 Mn\n0.695654 0.304346 -0.000000 F\n0.304346 0.695655 -0.000000 F\n0.209473 0.209473 0.500000 F\n0.790527 0.790528 0.500000 F\n",
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"structure_string": "Li4 Cr3 Co1 P4 O16\n1.0\n6.150023 -0.000000 0.000000\n0.000000 4.716065 0.035811\n-0.000000 0.004678 10.066731\nLi Cr Co P O\n4 3 1 4 16\ndirect\n0.255755 0.991452 0.004039 Li\n0.744245 0.991452 0.004039 Li\n0.741248 0.501505 0.493146 Li\n0.258751 0.501505 0.493146 Li\n0.500000 0.538429 0.782914 Cr\n-0.000000 0.457464 0.218891 Cr\n-0.000000 0.048601 0.717089 Cr\n0.500000 0.967629 0.278447 Co\n0.500000 0.084740 0.595559 P\n0.500000 0.418753 0.092437 P\n-0.000000 0.580165 0.906095 P\n-0.000000 0.916444 0.405783 P\n0.700615 0.219175 0.668089 O\n-0.000000 0.244687 0.398665 O\n-0.000000 0.253251 0.899687 O\n0.297133 0.283311 0.161957 O\n0.702866 0.283311 0.161957 O\n0.500000 0.294947 0.947836 O\n-0.000000 0.693534 0.051435 O\n0.201958 0.778323 0.338639 O\n0.201993 0.717735 0.837150 O\n0.500000 0.743892 0.090290 O\n0.500000 0.757213 0.602460 O\n0.798042 0.778323 0.338639 O\n0.299385 0.219175 0.668089 O\n-0.000000 0.809365 0.553359 O\n0.798006 0.717735 0.837150 O\n0.500000 0.207896 0.453004 O\n",
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{
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"updated_at": "2022-09-04T14:38:51.445814Z",
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"structure_string": "Mg1 Ti1 O3\n1.0\n3.833861 -0.000000 -0.000000\n-0.000000 3.833861 -0.000000\n-0.000000 0.000000 3.833861\nMg Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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}