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{
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{
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"structure_string": "Ba7 Ru4 Br2 O15\n1.0\n17.896262 -2.948922 0.000000\n17.896262 2.948922 0.000000\n17.410343 0.000000 5.084515\nBa Ru Br O\n7 4 2 15\ndirect\n0.081412 0.081412 0.081412 Ba\n0.208528 0.208528 0.208528 Ba\n0.791472 0.791472 0.791472 Ba\n0.918588 0.918588 0.918588 Ba\n0.712748 0.712748 0.712748 Ba\n0.287252 0.287252 0.287252 Ba\n0.000000 0.000000 0.000000 Ba\n0.405098 0.405098 0.405098 Ru\n0.646764 0.646764 0.646764 Ru\n0.594902 0.594902 0.594902 Ru\n0.353236 0.353236 0.353236 Ru\n0.856286 0.856286 0.856286 Br\n0.143714 0.143714 0.143714 Br\n0.320682 0.772843 0.772843 O\n0.772843 0.320682 0.772843 O\n0.899210 0.415917 0.415917 O\n0.227157 0.679318 0.227157 O\n0.415917 0.899210 0.415917 O\n0.584083 0.100790 0.584083 O\n0.772843 0.772843 0.320682 O\n0.000000 0.500000 0.500000 O\n0.100790 0.584083 0.584083 O\n0.679318 0.227157 0.227157 O\n0.584083 0.584083 0.100790 O\n0.227157 0.227157 0.679318 O\n0.415917 0.415917 0.899210 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-758059",
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"formula_full": "Ba7 Pb17 O24",
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"spacegroup": 6
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{
"id": "mp-1228195",
"created_at": "2022-09-04T14:44:57.564285Z",
"structure_string": "Ba7 Nb4 Mo1 O20\n1.0\n2.986797 -5.173284 0.000000\n2.986797 5.173284 0.000000\n0.000000 0.000000 16.831191\nBa Nb Mo O\n7 4 1 20\ndirect\n0.333333 0.666667 0.823309 Ba\n0.666667 0.333333 0.177629 Ba\n0.000000 0.000000 0.992247 Ba\n0.333333 0.666667 0.573902 Ba\n0.666667 0.333333 0.426539 Ba\n0.000000 0.000000 0.288195 Ba\n0.000000 0.000000 0.721112 Ba\n0.666667 0.333333 0.905352 Nb\n0.333333 0.666667 0.349813 Nb\n0.666667 0.333333 0.650830 Nb\n0.000000 0.000000 0.501413 Nb\n0.333333 0.666667 0.096002 Mo\n0.662529 0.831265 0.130454 O\n0.168735 0.831265 0.130454 O\n0.168735 0.337471 0.130454 O\n0.325138 0.162569 0.868686 O\n0.837431 0.162569 0.868686 O\n0.837431 0.674862 0.868686 O\n0.494098 0.505902 0.294836 O\n0.494098 0.988195 0.294836 O\n0.011805 0.505902 0.294836 O\n0.505165 0.494835 0.703578 O\n0.505165 0.010329 0.703578 O\n0.989671 0.494835 0.703578 O\n0.674772 0.837386 0.430525 O\n0.162614 0.837386 0.430525 O\n0.162614 0.325228 0.430525 O\n0.325674 0.162837 0.567717 O\n0.837163 0.162837 0.567717 O\n0.837163 0.674326 0.567717 O\n0.333333 0.666667 0.989336 O\n0.666667 0.333333 0.016944 O\n",
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"formula_full": "Ba7 Nb4 Mo1 O20",
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{
"id": "mp-567157",
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"structure_string": "Ba14 Na10 Li6 N6\n1.0\n0.000000 8.827057 8.827057\n8.827057 0.000000 8.827057\n8.827057 8.827057 0.000000\nBa Na Li N\n14 10 6 6\ndirect\n0.104729 0.685812 0.104729 Ba\n0.291081 0.708919 0.291081 Ba\n0.708919 0.708919 0.291081 Ba\n0.896076 0.896076 0.896076 Ba\n0.291081 0.708919 0.708919 Ba\n0.708919 0.291081 0.291081 Ba\n0.291081 0.291081 0.708919 Ba\n0.896076 0.896076 0.311773 Ba\n0.104729 0.104729 0.104729 Ba\n0.104729 0.104729 0.685812 Ba\n0.708919 0.291081 0.708919 Ba\n0.685812 0.104729 0.104729 Ba\n0.896076 0.311773 0.896076 Ba\n0.311773 0.896076 0.896076 Ba\n0.491637 0.008363 0.008363 Na\n0.008363 0.491637 0.008363 Na\n0.491637 0.008363 0.491637 Na\n0.008363 0.491637 0.491637 Na\n0.987739 0.670754 0.670754 Na\n0.008363 0.008363 0.491637 Na\n0.670754 0.987739 0.670754 Na\n0.670754 0.670754 0.987739 Na\n0.670754 0.670754 0.670754 Na\n0.491637 0.491637 0.008363 Na\n0.036280 0.321240 0.321240 Li\n0.321240 0.321240 0.036280 Li\n0.321240 0.321240 0.321240 Li\n0.000000 0.000000 0.000000 Li\n0.321240 0.036280 0.321240 Li\n0.500000 0.500000 0.500000 Li\n0.148689 0.148689 0.851311 N\n0.851311 0.851311 0.148689 N\n0.148689 0.851311 0.851311 N\n0.851311 0.148689 0.851311 N\n0.851311 0.148689 0.148689 N\n0.148689 0.851311 0.148689 N\n",
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"formula_full": "Ba14 Na10 Li6 N6",
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{
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"structure_string": "Ba7 Na3 Ti7 Nb3 O30\n1.0\n4.028513 0.000000 0.000000\n0.000000 8.056735 0.000000\n0.000000 0.009722 20.173269\nBa Na Ti Nb O\n7 3 7 3 30\ndirect\n0.000000 0.502605 0.004510 Ba\n0.000000 0.501651 0.198488 Ba\n0.000000 0.501434 0.399513 Ba\n0.000000 0.998273 0.198795 Ba\n0.000000 0.998556 0.399502 Ba\n0.000000 0.505520 0.599651 Ba\n0.000000 0.994487 0.599670 Ba\n0.000000 0.998012 0.003656 Na\n0.000000 0.505201 0.798491 Na\n0.000000 0.994614 0.798299 Na\n0.500000 0.757742 0.097279 Ti\n0.500000 0.249884 0.298606 Ti\n0.500000 0.750085 0.298789 Ti\n0.500000 0.243751 0.100249 Ti\n0.500000 0.750025 0.500061 Ti\n0.500000 0.750058 0.703246 Ti\n0.500000 0.249980 0.497589 Ti\n0.500000 0.249976 0.703314 Nb\n0.500000 0.752709 0.896694 Nb\n0.500000 0.245722 0.901225 Nb\n0.000000 0.751706 0.099518 O\n0.000000 0.750060 0.300067 O\n0.000000 0.248269 0.099174 O\n0.000000 0.249929 0.300093 O\n0.000000 0.750744 0.899646 O\n0.000000 0.249485 0.898990 O\n0.500000 0.749942 0.999797 O\n0.500000 0.751117 0.200462 O\n0.500000 0.499041 0.098973 O\n0.500000 0.249625 0.999162 O\n0.500000 0.498886 0.300065 O\n0.500000 0.499739 0.500109 O\n0.500000 0.999123 0.701053 O\n0.500000 0.248902 0.199799 O\n0.500000 0.249977 0.400969 O\n0.500000 0.000560 0.099840 O\n0.500000 0.001117 0.300134 O\n0.500000 0.750029 0.400184 O\n0.500000 0.749975 0.599816 O\n0.500000 0.500912 0.701146 O\n0.500000 0.500284 0.899693 O\n0.500000 0.250011 0.601327 O\n0.500000 0.249325 0.800812 O\n0.500000 0.000251 0.500110 O\n0.500000 0.750943 0.800182 O\n0.500000 0.999780 0.898890 O\n0.000000 0.750001 0.499915 O\n0.000000 0.749978 0.701091 O\n0.000000 0.249993 0.500261 O\n0.000000 0.250013 0.701094 O\n",
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{
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{
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