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{
"id": "jvasp-66511",
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"structure_string": "Ba4 P1 Pd1\n1.0\n0.000000 4.778250 4.778250\n4.778250 -0.000000 4.778250\n4.778250 4.778250 0.000000\nBa P Pd\n4 1 1\ndirect\n0.126303 0.624565 0.624565 Ba\n0.624565 0.624565 0.624565 Ba\n0.624565 0.126303 0.624565 Ba\n0.624565 0.624565 0.126303 Ba\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Li8 Fe4 O8 F4\n1.0\n2.575062 4.413282 0.023014\n-2.575062 4.413282 -0.023014\n-1.630167 0.000000 9.583415\nLi Fe O F\n8 4 8 4\ndirect\n0.590434 0.590435 0.750000 Li\n0.231423 0.231424 0.750000 Li\n0.904551 0.904551 0.750000 Li\n0.000000 0.500000 0.000000 Li\n0.095448 0.095449 0.250000 Li\n0.409565 0.409565 0.250000 Li\n0.768576 0.768576 0.250000 Li\n0.499999 0.000000 0.500000 Li\n0.878536 0.310039 0.499333 Fe\n0.689960 0.121463 0.999334 Fe\n0.121463 0.689961 0.500667 Fe\n0.310039 0.878536 0.000667 Fe\n0.198402 0.945926 0.617617 O\n0.606362 0.874392 0.881201 O\n0.054074 0.801598 0.117617 O\n0.125608 0.393637 0.381201 O\n0.874392 0.606363 0.618800 O\n0.945925 0.198402 0.882384 O\n0.393637 0.125608 0.118799 O\n0.801597 0.054074 0.382384 O\n0.537903 0.290109 0.626575 F\n0.290109 0.537904 0.873426 F\n0.462096 0.709890 0.373425 F\n0.709890 0.462096 0.126575 F\n",
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{
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"structure_string": "Li4 Ti3 V3 O12\n1.0\n5.078598 0.000735 0.000585\n1.733905 5.709874 -0.021623\n1.729211 1.171260 7.518891\nLi Ti V O\n4 3 3 12\ndirect\n0.501838 0.665193 0.334410 Li\n0.498162 0.334807 0.665591 Li\n0.992822 0.834526 0.166012 Li\n0.007179 0.165474 0.833989 Li\n0.516437 0.829545 0.667110 Ti\n0.500000 0.500000 0.000001 Ti\n0.483563 0.170455 0.332891 Ti\n-0.000000 -0.000000 0.500000 V\n0.994729 0.670819 0.828976 V\n0.005272 0.329181 0.171025 V\n0.264417 0.489108 0.238894 O\n0.257498 0.812898 0.906266 O\n0.745632 0.311730 0.408377 O\n0.760712 0.641031 0.078273 O\n0.254369 0.688270 0.591624 O\n0.757671 0.991618 0.738740 O\n0.735583 0.510892 0.761106 O\n0.732702 0.857530 0.420395 O\n0.267299 0.142470 0.579606 O\n0.742503 0.187102 0.093735 O\n0.242330 0.008382 0.261261 O\n0.239289 0.358969 0.921727 O\n",
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{
"id": "jvasp-42754",
"created_at": "2022-09-04T14:35:45.510748Z",
"updated_at": "2022-09-04T14:35:45.510774Z",
"structure_string": "Fe8 O14 F2\n1.0\n5.224155 0.007720 -0.035008\n1.535105 4.984751 -0.039975\n0.555257 0.406012 8.374707\nFe O F\n8 14 2\ndirect\n0.111283 0.128381 0.383549 Fe\n0.373071 0.390858 0.118322 Fe\n0.493014 0.500636 0.497486 Fe\n0.260798 0.261690 0.751345 Fe\n0.773985 0.723718 0.248132 Fe\n0.628178 0.629602 0.876204 Fe\n0.860131 0.861564 0.614748 Fe\n-0.001313 0.007206 0.011669 Fe\n0.697473 0.306645 0.998097 O\n0.945086 0.553403 0.747850 O\n0.301459 0.703604 0.999408 O\n0.799684 0.196311 0.504040 O\n0.552526 0.948134 0.748946 O\n0.973364 0.971701 0.227403 O\n0.718738 0.718144 0.467976 O\n0.531296 0.524060 0.274444 O\n0.472541 0.478558 0.721819 O\n0.781845 0.776896 0.029496 O\n0.276288 0.275994 0.527890 O\n0.188298 0.802465 0.501748 O\n0.064691 0.436754 0.250632 O\n0.224441 0.228717 0.972247 O\n0.449082 0.050297 0.249648 F\n0.024032 0.024654 0.776891 F\n",
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{
"id": "jvasp-16868",
"created_at": "2022-09-04T14:38:32.887589Z",
"updated_at": "2022-09-04T14:38:32.887617Z",
"structure_string": "Hf5 Te4\n1.0\n3.693641 -0.000000 0.918558\n1.846821 7.570190 0.459278\n0.019863 0.000001 7.805707\nHf Te\n5 4\ndirect\n0.688022 0.943144 0.680811 Hf\n0.368832 0.319190 0.943144 Hf\n0.631166 0.680810 0.056857 Hf\n0.311977 0.056856 0.319190 Hf\n0.000000 0.000000 0.000000 Hf\n0.948398 0.764700 0.338501 Te\n0.286900 0.661499 0.764701 Te\n0.713099 0.338500 0.235300 Te\n0.051600 0.235300 0.661500 Te\n",
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"formula_full": "Hf5 Te4",
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"formula_anonymous": "A4B5",
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{
"id": "jvasp-40668",
"created_at": "2022-09-04T14:37:58.684554Z",
"updated_at": "2022-09-04T14:37:58.684573Z",
"structure_string": "Li4 V2 H4 O2 F10\n1.0\n5.793814 -0.286755 0.058545\n1.934168 4.835033 0.134413\n0.707636 0.447280 7.653552\nLi V H O F\n4 2 4 2 10\ndirect\n0.703310 0.784445 0.445441 Li\n0.774529 0.667660 0.027625 Li\n0.236341 0.334982 -0.034192 Li\n0.307687 0.218153 0.547984 Li\n0.766147 0.226933 0.750044 V\n0.244779 0.775664 0.243384 V\n0.209468 0.909875 0.812112 H\n0.159748 0.805155 0.634473 H\n0.851202 0.197461 0.358981 H\n0.801455 0.092783 0.181337 H\n0.885303 0.032611 0.293046 O\n0.125649 0.970023 0.700387 O\n0.385823 0.001129 0.356027 F\n0.267964 0.970258 0.015761 F\n0.924873 0.448065 0.849520 F\n0.211242 0.590351 0.474964 F\n0.435666 0.457928 0.801406 F\n0.575229 0.544620 0.191983 F\n0.799660 0.412254 0.518453 F\n0.085998 0.554577 0.143895 F\n0.742961 0.032361 0.977665 F\n0.625164 0.001419 0.637399 F\n",
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{
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"created_at": "2022-09-04T14:35:45.761605Z",
"updated_at": "2022-09-04T14:35:45.761630Z",
"structure_string": "K4 Co4\n1.0\n0.000000 -0.000000 3.644352\n10.718373 0.000000 0.000000\n0.000000 5.583650 -0.000000\nK Co\n4 4\ndirect\n0.250000 0.399699 0.499881 K\n0.750000 0.100300 0.500119 K\n0.750000 0.899699 0.000119 K\n0.250000 0.600300 -0.000119 K\n0.250000 0.804663 0.500142 Co\n0.750000 0.695337 0.499858 Co\n0.750000 0.304663 -0.000142 Co\n0.250000 0.195337 0.000142 Co\n",
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{
"id": "jvasp-104731",
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"updated_at": "2022-09-04T14:36:49.515208Z",
"structure_string": "La1 Ce1 Sn6\n1.0\n4.776115 0.000000 0.000000\n0.000000 4.776115 0.000000\n-0.000000 0.000000 9.560815\nLa Ce Sn\n1 1 6\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 -0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 0.245629 Sn\n0.500000 0.000000 0.754371 Sn\n-0.000000 0.500000 0.245629 Sn\n-0.000000 0.500000 0.754371 Sn\n",
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{
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"created_at": "2022-09-04T14:38:11.830620Z",
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"structure_string": "Li6 Fe4 O2 F10\n1.0\n5.088848 0.041801 -0.015513\n-1.633570 4.819771 -0.013455\n-1.701794 -2.396033 8.880943\nLi Fe O F\n6 4 2 10\ndirect\n0.791564 0.541550 0.083336 Li\n0.876908 0.126993 0.253693 Li\n0.541750 0.791497 0.583334 Li\n0.468273 0.218339 0.436935 Li\n0.114998 0.864945 0.729722 Li\n0.206587 0.456493 0.912970 Li\n0.291571 0.041522 0.083330 Fe\n0.041576 0.291715 0.583331 Fe\n0.364718 0.614853 0.229430 Fe\n0.718773 0.968606 0.937240 Fe\n0.544534 0.788895 0.083297 O\n0.038965 0.294527 0.083368 O\n0.118492 0.887752 0.254083 F\n0.800696 0.532595 0.583311 F\n0.635498 0.366361 0.253918 F\n0.676794 0.965778 0.418766 F\n0.367566 0.656444 0.747882 F\n0.241845 0.453020 0.418758 F\n0.282496 0.050849 0.583356 F\n0.445726 0.214812 0.912703 F\n0.880356 0.091417 0.747924 F\n0.966992 0.697698 0.912640 F\n",
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{
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"structure_string": "Ga1 Pd1 I4\n1.0\n-3.018179 3.018179 5.984083\n3.018179 -3.018179 5.984083\n3.018179 3.018179 -5.984083\nGa Pd I\n1 1 4\ndirect\n0.250000 0.749999 0.499999 Ga\n0.500000 0.500000 -0.000000 Pd\n0.643356 0.109824 0.002560 I\n0.890175 0.892736 0.533532 I\n0.359204 0.356643 0.466467 I\n0.107263 0.640795 -0.002561 I\n",
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{
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"updated_at": "2022-09-04T14:38:09.907820Z",
"structure_string": "Mg1 Fe4 S8\n1.0\n6.771532 -0.017941 -0.012687\n3.370228 5.837404 0.000000\n3.370228 1.945801 5.503559\nMg Fe S\n1 4 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.499999 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.257333 0.261621 0.261621 S\n0.257333 0.261621 0.719425 S\n0.257334 0.719424 0.261621 S\n0.726071 0.257976 0.257976 S\n0.273929 0.742023 0.742024 S\n0.742667 0.738378 0.280575 S\n0.742667 0.280575 0.738379 S\n0.742667 0.738378 0.738379 S\n",
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{
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"created_at": "2022-09-04T14:35:54.970548Z",
"updated_at": "2022-09-04T14:35:54.970584Z",
"structure_string": "La3 Sn3 Pd3\n1.0\n7.731281 -0.000000 -0.000000\n-3.865640 6.695486 0.000000\n0.000000 -0.000000 4.212202\nLa Sn Pd\n3 3 3\ndirect\n0.000000 0.586466 0.000000 La\n0.413535 0.413535 0.000000 La\n0.586465 0.000000 0.000000 La\n0.751010 0.751010 0.500000 Sn\n0.000000 0.248991 0.500000 Sn\n0.248991 0.000000 0.500000 Sn\n0.666667 0.333334 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.333334 0.666667 0.500000 Pd\n",
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"volume": 218.04330420025488,
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"formula_full": "La3 Sn3 Pd3",
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}
]
}