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{
"id": "jvasp-9827",
"created_at": "2022-09-04T14:38:33.205044Z",
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"structure_string": "Ba1 B2 F8\n1.0\n4.453919 -0.001195 -1.643304\n-0.691604 4.636749 -1.878605\n0.022777 0.003805 6.791533\nBa B F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.285841 0.347379 0.694731 B\n0.714160 0.652619 0.305268 B\n0.464768 0.614749 0.769360 F\n0.857106 0.771532 0.543095 F\n0.464807 0.154639 0.769322 F\n0.062952 0.399237 0.798453 F\n0.535195 0.845359 0.230677 F\n0.535234 0.385249 0.230639 F\n0.142896 0.228466 0.456904 F\n0.937050 0.600761 0.201546 F\n",
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{
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"structure_string": "Ba1 B2 F8\n1.0\n4.454355 -0.001198 -1.643140\n-0.691720 4.636728 -1.878542\n0.022918 0.003778 6.791186\nBa B F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.285934 0.347380 0.694725 B\n0.714065 0.652620 0.305276 B\n0.464870 0.614725 0.769283 F\n0.857180 0.771522 0.543090 F\n0.464892 0.154607 0.769246 F\n0.063190 0.399293 0.798587 F\n0.535107 0.845393 0.230755 F\n0.535130 0.385276 0.230718 F\n0.142820 0.228479 0.456911 F\n0.936809 0.600708 0.201414 F\n",
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"formula_full": "Ba1 B2 F8",
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{
"id": "jvasp-11333",
"created_at": "2022-09-04T14:37:13.463053Z",
"updated_at": "2022-09-04T14:37:13.463074Z",
"structure_string": "Mn2 Zn2 F10\n1.0\n5.132387 -0.026581 -0.034404\n-1.847515 5.095459 -0.076398\n-2.164922 -2.305402 6.904179\nMn Zn F\n2 2 10\ndirect\n0.997014 -0.000607 -0.000814 Mn\n0.496996 -0.000619 0.499175 Mn\n0.791300 0.518250 0.259274 Zn\n0.202698 0.480515 0.739084 Zn\n0.885317 0.165092 0.768657 F\n0.108641 0.833665 0.229678 F\n0.338222 0.215685 0.615690 F\n0.001103 0.713256 0.824718 F\n0.595426 0.759211 0.953407 F\n0.260308 0.693648 0.549230 F\n0.398570 0.239585 0.044922 F\n0.733622 0.305113 0.449099 F\n0.992899 0.285520 0.173647 F\n0.655763 0.783082 0.382655 F\n",
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{
"id": "jvasp-11559",
"created_at": "2022-09-04T14:37:19.543421Z",
"updated_at": "2022-09-04T14:37:19.543440Z",
"structure_string": "Mg2 Sn3 O8\n1.0\n5.294294 0.296991 -1.102283\n-0.906714 5.388935 -2.903020\n0.328428 -0.324082 5.890725\nMg Sn O\n2 3 8\ndirect\n0.576520 0.704607 0.409214 Mg\n0.423482 0.295395 0.590789 Mg\n0.500000 1.000000 0.000001 Sn\n0.000001 0.742208 1.000001 Sn\n0.000001 0.257792 1.000000 Sn\n0.135019 0.394026 0.788053 O\n0.864981 0.605974 0.211949 O\n0.136048 0.893794 0.787587 O\n0.863953 0.106207 0.212414 O\n0.362528 0.352722 0.250449 O\n0.362528 0.897728 0.250449 O\n0.637471 0.102273 0.749553 O\n0.637472 0.647279 0.749553 O\n",
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{
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"updated_at": "2022-09-04T14:35:42.754849Z",
"structure_string": "Mn1 Rh1\n1.0\n2.944952 -0.000000 0.000000\n0.000000 2.944952 0.000000\n0.000000 -0.000000 2.944952\nMn Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Rh\n",
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{
"id": "jvasp-30084",
"created_at": "2022-09-04T14:38:01.087327Z",
"updated_at": "2022-09-04T14:38:01.087351Z",
"structure_string": "Sn4 H4 C8 O12\n1.0\n5.426672 3.957825 -3.282686\n-5.426672 3.957825 3.282686\n0.090097 0.000000 8.269730\nSn H C O\n4 4 8 12\ndirect\n0.806613 0.193386 0.158124 Sn\n0.193386 0.806613 0.841876 Sn\n0.712529 0.712529 -0.000000 Sn\n0.287470 0.287470 -0.000000 Sn\n0.986774 0.221812 0.544314 H\n0.778187 0.013224 0.544314 H\n0.013225 0.778187 0.455687 H\n0.221812 0.986774 0.455687 H\n0.521960 0.292530 0.472680 C\n0.707469 0.478039 0.472680 C\n0.292530 0.521960 0.527321 C\n0.478039 0.707469 0.527321 C\n0.776259 0.408610 0.679048 C\n0.408610 0.776259 0.320952 C\n0.223740 0.591388 0.320952 C\n0.591389 0.223739 0.679048 C\n0.616998 0.383001 0.046478 O\n0.070160 0.527303 0.191398 O\n0.472696 0.929839 0.191398 O\n0.929839 0.472696 0.808602 O\n0.527303 0.070160 0.808602 O\n0.219047 0.364825 0.650159 O\n0.635174 0.780952 0.650159 O\n0.780953 0.635174 0.349841 O\n0.364825 0.219046 0.349841 O\n0.846044 0.153955 0.465501 O\n0.153956 0.846043 0.534500 O\n0.383001 0.616997 0.953523 O\n",
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{
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"created_at": "2022-09-04T14:37:45.457117Z",
"updated_at": "2022-09-04T14:37:45.457144Z",
"structure_string": "Li1 Ga1 Cu2\n1.0\n0.000000 2.944965 2.944965\n2.944965 0.000000 2.944965\n2.944965 2.944965 0.000000\nLi Ga Cu\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Li\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n",
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{
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"structure_string": "Tm5 Re2 O12\n1.0\n5.609601 0.000000 0.000000\n-2.804801 5.828875 -1.880725\n0.000000 -0.003647 7.422091\nTm Re O\n5 2 12\ndirect\n0.500000 -0.000000 0.500000 Tm\n0.814617 0.629234 0.177564 Tm\n0.185383 0.370765 0.822437 Tm\n0.197770 0.395540 0.359586 Tm\n0.802229 0.604459 0.640414 Tm\n0.715615 0.000000 0.000000 Re\n0.284385 0.000000 0.000000 Re\n0.094299 0.693357 0.428026 O\n0.502522 0.005044 0.791177 O\n0.412883 0.335646 0.087510 O\n0.000902 0.001806 0.181829 O\n0.400942 0.306642 0.571975 O\n0.905700 0.306642 0.571975 O\n0.599057 0.693357 0.428026 O\n0.922763 0.335646 0.087510 O\n0.587116 0.664352 0.912491 O\n0.077237 0.664352 0.912491 O\n0.999097 0.998193 0.818171 O\n0.497477 0.994954 0.208823 O\n",
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"created_at": "2022-09-04T14:37:28.855334Z",
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"structure_string": "Mg2 Sn3 O8\n1.0\n5.294272 0.296739 -1.102744\n-0.906675 5.388699 -2.902893\n0.327890 -0.323726 5.891264\nMg Sn O\n2 3 8\ndirect\n0.576609 0.704629 0.409258 Mg\n0.423392 0.295372 0.590744 Mg\n0.500000 0.999999 0.000001 Sn\n0.000001 0.742200 0.999998 Sn\n0.000000 0.257798 0.999998 Sn\n0.134968 0.394014 0.788030 O\n0.865031 0.605985 0.211971 O\n0.136004 0.893812 0.787623 O\n0.863996 0.106188 0.212376 O\n0.362566 0.352706 0.250430 O\n0.362567 0.897724 0.250430 O\n0.637433 0.102275 0.749570 O\n0.637433 0.647294 0.749571 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:16.548826Z",
"updated_at": "2022-09-04T14:38:16.548847Z",
"structure_string": "Pd2 O2\n1.0\n3.070973 0.000000 0.000000\n-0.000000 3.070973 0.000000\n0.000000 0.000000 5.416834\nPd O\n2 2\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.749999 O\n0.000000 0.000000 0.250000 O\n",
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}
]
}