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{
"id": "jvasp-9937",
"created_at": "2022-09-04T14:37:13.191307Z",
"updated_at": "2022-09-04T14:37:13.191325Z",
"structure_string": "Zn2 Bi4 O8\n1.0\n3.342593 0.000000 0.000000\n-1.671296 5.694930 0.000000\n0.000000 -0.000000 11.110044\nZn Bi O\n2 4 8\ndirect\n0.400753 0.801508 0.750000 Zn\n0.599245 0.198492 0.250000 Zn\n0.867070 0.734144 0.076270 Bi\n0.132928 0.265856 0.923730 Bi\n0.867070 0.734144 0.423730 Bi\n0.132928 0.265856 0.576270 Bi\n0.222148 0.444298 0.385346 O\n0.777850 0.555702 0.614653 O\n0.777850 0.555702 0.885346 O\n0.222148 0.444298 0.114654 O\n0.005418 0.010837 0.250000 O\n0.994580 0.989163 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"structure_string": "Sr1 Ta2 Bi2 O9\n1.0\n3.888016 0.000000 -0.600006\n-0.092594 3.886914 -0.600006\n-0.026612 -0.027253 12.724671\nSr Ta Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 Sr\n0.586065 0.586063 0.172127 Ta\n0.413938 0.413937 0.827873 Ta\n0.199970 0.199969 0.399937 Bi\n0.800033 0.800031 0.600063 Bi\n0.077260 0.577258 0.154518 O\n0.250001 0.750000 0.500000 O\n0.422743 0.922741 0.845481 O\n0.500001 0.500000 -0.000000 O\n0.922743 0.422742 0.845481 O\n0.337550 0.337549 0.675098 O\n0.577260 0.077259 0.154518 O\n0.750001 0.250000 0.500000 O\n0.662452 0.662450 0.324901 O\n",
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{
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"updated_at": "2022-09-04T14:37:13.243488Z",
"structure_string": "Ba4 Si2 Te8\n1.0\n0.000000 7.586619 0.006723\n7.629289 0.000000 0.000000\n0.000000 -3.077000 -9.130588\nBa Si Te\n4 2 8\ndirect\n0.724881 0.750000 0.926702 Ba\n0.275119 0.250000 0.073299 Ba\n0.777321 0.750000 0.447892 Ba\n0.222680 0.250000 0.552109 Ba\n0.210156 0.750000 0.293896 Si\n0.789844 0.250000 0.706105 Si\n0.990911 0.008430 0.231954 Te\n0.009089 0.508430 0.768047 Te\n0.622314 0.250000 0.431255 Te\n0.377686 0.750000 0.568745 Te\n0.595207 0.250000 0.877853 Te\n0.404793 0.750000 0.122148 Te\n0.990911 0.491570 0.231954 Te\n0.009089 0.991570 0.768047 Te\n",
"nsites": 14,
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"volume": 528.3252552576415,
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{
"id": "jvasp-9358",
"created_at": "2022-09-04T14:37:13.331375Z",
"updated_at": "2022-09-04T14:37:13.331401Z",
"structure_string": "Mg2 Co4 S8\n1.0\n5.991974 -0.000061 3.459387\n1.997270 5.649263 3.459380\n-0.000021 -0.000023 6.918811\nMg Co S\n2 4 8\ndirect\n0.875008 0.875008 0.874996 Mg\n0.124991 0.124991 0.125005 Mg\n0.500000 0.500000 0.500000 Co\n0.500000 0.499999 0.000001 Co\n0.000000 0.499999 0.500000 Co\n0.500000 0.999999 0.500001 Co\n0.732397 0.732400 0.732402 S\n0.267603 0.267601 0.697197 S\n0.267607 0.697193 0.267601 S\n0.697199 0.267603 0.267599 S\n0.732392 0.302807 0.732400 S\n0.302800 0.732396 0.732402 S\n0.267603 0.267599 0.267599 S\n0.732397 0.732398 0.302804 S\n",
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"volume": 234.20496340427874,
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{
"id": "jvasp-9933",
"created_at": "2022-09-04T14:37:13.368648Z",
"updated_at": "2022-09-04T14:37:13.368672Z",
"structure_string": "Ca2 Cu4 O8\n1.0\n5.747255 0.000032 0.000014\n-0.000134 5.747197 -0.000435\n-2.873523 -2.873177 4.754316\nCa Cu O\n2 4 8\ndirect\n0.624998 0.874996 0.749990 Ca\n0.375001 0.125001 0.250002 Ca\n-0.000002 0.499998 0.499999 Cu\n0.000002 0.000002 0.500001 Cu\n-0.000001 0.499998 0.000002 Cu\n0.500003 0.500004 -0.000001 Cu\n0.031008 0.701972 0.849248 O\n0.352725 0.468998 0.650759 O\n0.798038 0.181772 0.650760 O\n0.681772 0.852728 0.150755 O\n0.201967 0.818226 0.349240 O\n0.647275 0.531008 0.349243 O\n0.318234 0.147277 0.849244 O\n0.968988 0.298019 0.150752 O\n",
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{
"id": "jvasp-10478",
"created_at": "2022-09-04T14:37:13.444793Z",
"updated_at": "2022-09-04T14:37:13.444813Z",
"structure_string": "K1 Li6 Ta1 O6\n1.0\n5.222864 0.002401 -1.031268\n-1.255257 5.069778 -1.031268\n0.001878 0.002401 5.323703\nK Li Ta O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.344323 -0.000000 0.655676 Li\n-0.000000 0.655677 0.344323 Li\n0.344322 0.655677 -0.000000 Li\n0.000000 0.344323 0.655676 Li\n0.655677 -0.000000 0.344322 Li\n0.655676 0.344323 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.272672 0.914734 0.272672 O\n0.272673 0.272672 0.914733 O\n0.727327 0.085266 0.727327 O\n0.727327 0.727328 0.085266 O\n0.085266 0.727328 0.727327 O\n0.914733 0.272672 0.272672 O\n",
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"formula_full": "K1 Li6 Ta1 O6",
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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-50155",
"created_at": "2022-09-04T14:37:13.565651Z",
"updated_at": "2022-09-04T14:37:13.565679Z",
"structure_string": "Cd2 Ag4 O8\n1.0\n-6.892728 0.000000 0.000000\n-3.446364 0.000000 6.303271\n3.446364 4.839070 0.000000\nCd Ag O\n2 4 8\ndirect\n0.875000 0.250000 0.250000 Cd\n0.125000 0.750000 0.750000 Cd\n0.496125 0.007752 0.250000 Ag\n0.746125 0.507752 0.750000 Ag\n0.253875 0.492248 0.250000 Ag\n0.503876 0.992248 0.750000 Ag\n0.917768 0.505573 0.163845 O\n0.740505 0.005573 0.663845 O\n0.746076 0.994427 0.163845 O\n0.576660 0.505573 0.336155 O\n0.253925 0.005573 0.836155 O\n0.423340 0.494427 0.663845 O\n0.259496 0.994427 0.336155 O\n0.082232 0.494427 0.836155 O\n",
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"structure_string": "Ba3 Ti3 O8\n1.0\n5.768993 -0.054785 -0.069278\n-2.931942 4.968701 0.069278\n-0.084131 0.048572 7.011080\nBa Ti O\n3 3 8\ndirect\n0.001570 0.998430 0.001331 Ba\n0.331764 0.668235 0.665340 Ba\n0.666666 0.333333 0.333336 Ba\n0.984564 0.015433 0.517750 Ti\n0.348767 0.651232 0.148922 Ti\n0.666666 0.333333 0.833336 Ti\n0.001837 0.505809 0.006333 O\n0.166667 0.333333 0.333335 O\n0.494190 0.998162 0.006333 O\n0.666667 0.833332 0.333335 O\n0.331495 0.160857 0.660339 O\n0.500211 0.499788 0.993274 O\n0.839142 0.668503 0.660339 O\n0.833121 0.166877 0.673396 O\n",
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"created_at": "2022-09-04T14:37:13.683237Z",
"updated_at": "2022-09-04T14:37:13.683248Z",
"structure_string": "Sr2 Ce4 S8\n1.0\n7.494740 0.001454 -0.001609\n-2.496876 7.065049 0.001627\n-2.500247 -3.532308 6.119045\nSr Ce S\n2 4 8\ndirect\n0.125007 0.750000 0.874998 Sr\n0.374996 0.250000 0.625008 Sr\n0.249989 0.626377 0.376379 Ce\n0.623617 0.373616 0.250011 Ce\n0.750010 0.873616 0.123618 Ce\n0.876378 0.126377 0.749990 Ce\n0.990301 0.846834 0.491371 S\n0.991370 0.346833 0.490302 S\n0.508642 0.998951 0.355485 S\n0.143448 0.153158 0.144530 S\n0.356538 0.501064 0.009687 S\n0.509686 0.001064 0.856539 S\n0.644529 0.653158 0.643449 S\n0.855484 0.498951 0.008642 S\n",
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{
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"created_at": "2022-09-04T14:37:13.853535Z",
"updated_at": "2022-09-04T14:37:13.853557Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n6.346705 0.012612 0.001852\n3.161759 5.815364 0.008371\n3.167772 1.985229 5.460769\nMg Sn O\n2 4 8\ndirect\n0.645160 0.105233 0.104983 Mg\n0.355344 0.894767 0.895023 Mg\n0.011349 0.000003 0.500004 Sn\n-0.001172 0.526133 0.475157 Sn\n-0.009878 0.499996 0.000003 Sn\n0.500122 0.473880 0.524847 Sn\n0.223238 0.757046 0.757683 O\n0.202051 0.805983 0.261200 O\n0.763237 0.757065 0.756631 O\n0.796585 0.739053 0.194158 O\n0.237971 0.242939 0.242324 O\n0.769244 0.194006 0.738818 O\n0.229808 0.260963 0.805814 O\n0.776949 0.242928 0.243354 O\n",
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{
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"created_at": "2022-09-04T14:37:13.765799Z",
"updated_at": "2022-09-04T14:37:13.765811Z",
"structure_string": "Ba1 Ca1 Fe4 O8\n1.0\n2.736694 -4.740093 0.000000\n2.736694 4.740093 0.000000\n-0.000000 0.000000 7.727735\nBa Ca Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.757370 Fe\n0.666666 0.333332 0.757370 Fe\n0.333332 0.666666 0.242631 Fe\n0.666666 0.333332 0.242631 Fe\n0.328043 0.328043 0.696352 O\n0.671956 -0.000000 0.696352 O\n-0.000000 0.671956 0.696352 O\n0.671956 0.671956 0.303649 O\n-0.000000 0.328043 0.303649 O\n0.328043 -0.000000 0.303649 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
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}