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{
"id": "jvasp-42386",
"created_at": "2022-09-04T14:37:29.295990Z",
"updated_at": "2022-09-04T14:37:29.296019Z",
"structure_string": "Li3 Fe2 Cu2 O8\n1.0\n-5.501738 0.002885 0.093767\n-0.003201 -5.503642 -0.012725\n2.627020 2.739529 4.632583\nLi Fe Cu O\n3 2 2 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.499999 0.499999 Li\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000001 0.000000 Cu\n0.282198 0.270179 0.540346 O\n0.262459 0.747231 0.494462 O\n0.702602 0.182863 0.907305 O\n0.702610 0.724450 0.907315 O\n0.297390 0.275550 0.092684 O\n0.297398 0.817137 0.092694 O\n0.737541 0.252769 0.505537 O\n0.717802 0.729821 0.459653 O\n",
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{
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"structure_string": "Mn10 B4 P2\n1.0\n4.969907 -0.000000 -2.320929\n-1.083795 4.850319 -2.320777\n-0.067017 -0.083433 6.338096\nMn B P\n10 4 2\ndirect\n0.698255 0.198245 0.723113 Mn\n0.975139 0.475125 0.276886 Mn\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 -0.000000 Mn\n0.024862 0.524875 0.723114 Mn\n0.198252 0.024875 0.723114 Mn\n0.524858 0.698245 0.723113 Mn\n0.801749 0.975125 0.276886 Mn\n0.475143 0.301756 0.276887 Mn\n0.301746 0.801756 0.276887 Mn\n0.375629 0.875637 -0.000001 B\n0.124372 0.375637 -0.000001 B\n0.875630 0.624363 0.000001 B\n0.624372 0.124363 0.000001 B\n0.750000 0.750000 0.500000 P\n0.250001 0.250000 0.500000 P\n",
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{
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"created_at": "2022-09-04T14:38:45.047866Z",
"updated_at": "2022-09-04T14:38:45.047893Z",
"structure_string": "Fe4 O8\n1.0\n2.772543 -0.000000 0.000000\n0.000000 4.376216 0.000000\n-0.000000 -0.000000 9.324964\nFe O\n4 8\ndirect\n0.250000 0.013652 0.135181 Fe\n0.250000 0.486348 0.635180 Fe\n0.749999 -0.013652 0.864819 Fe\n0.749999 0.513652 0.364819 Fe\n0.250000 0.780545 0.960807 O\n0.250000 0.719456 0.460807 O\n0.749999 0.219456 0.039193 O\n0.749999 0.280545 0.539192 O\n0.250000 0.223209 0.789473 O\n0.250000 0.276791 0.289473 O\n0.749999 0.776791 0.210527 O\n0.749999 0.723210 0.710526 O\n",
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"elements": [
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"density": 5.156986557510765,
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"formula_full": "Fe4 O8",
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{
"id": "jvasp-108193",
"created_at": "2022-09-04T14:36:06.106150Z",
"updated_at": "2022-09-04T14:36:06.106176Z",
"structure_string": "Li1 Fe2 O3\n1.0\n2.983813 -0.001601 0.001245\n-1.490488 2.587091 0.012317\n-0.003028 -0.027119 7.330519\nLi Fe O\n1 2 3\ndirect\n0.000012 -0.000005 0.500005 Li\n0.666246 0.332502 0.822729 Fe\n0.333743 0.667501 0.177263 Fe\n-0.000048 -0.000005 0.000001 O\n0.332938 0.665920 0.675840 O\n0.667084 0.334086 0.324162 O\n",
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"spacegroup": 164
},
{
"id": "jvasp-20779",
"created_at": "2022-09-04T14:38:35.543097Z",
"updated_at": "2022-09-04T14:38:35.543126Z",
"structure_string": "Zr2 Be17\n1.0\n5.634899 0.005390 0.696113\n0.616066 5.601122 0.696113\n0.006009 0.005390 5.677730\nZr Be\n2 17\ndirect\n0.837471 0.837470 0.837469 Zr\n0.162530 0.162530 0.162530 Zr\n0.842381 0.842379 0.340282 Be\n0.842380 0.340283 0.842379 Be\n0.340283 0.842379 0.842379 Be\n0.659718 0.157620 0.157620 Be\n0.157621 0.157620 0.659717 Be\n0.157621 0.659717 0.157620 Be\n0.786225 0.500000 0.213774 Be\n0.403727 0.403726 0.403726 Be\n0.213776 0.500000 0.786224 Be\n0.500001 0.786225 0.213774 Be\n0.786225 0.213775 0.499999 Be\n0.500000 0.000000 0.500000 Be\n0.000001 0.500000 0.500000 Be\n0.500000 0.500000 -0.000001 Be\n0.596274 0.596273 0.596273 Be\n0.213776 0.786225 0.499999 Be\n0.500000 0.213775 0.786224 Be\n",
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{
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"created_at": "2022-09-04T14:36:47.367225Z",
"updated_at": "2022-09-04T14:36:47.367236Z",
"structure_string": "Cu2 O4\n1.0\n5.180812 0.131400 0.000000\n-4.405070 2.730098 0.000000\n0.000000 0.000000 3.842059\nCu O\n2 4\ndirect\n0.843049 0.156952 0.750000 Cu\n0.156952 0.843049 0.250000 Cu\n0.471859 0.528142 0.750000 O\n0.528141 0.471859 0.250000 O\n0.207142 0.792859 0.750000 O\n0.792858 0.207142 0.250000 O\n",
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"formula_full": "Cu2 O4",
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"spacegroup": 63
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{
"id": "jvasp-63804",
"created_at": "2022-09-04T14:35:48.954931Z",
"updated_at": "2022-09-04T14:35:48.954957Z",
"structure_string": "Pr2 Al6 B8 O24\n1.0\n4.720697 3.660493 -0.007885\n-4.720697 3.660493 -0.007885\n0.000000 2.608644 10.905806\nPr Al B O\n2 6 8 24\ndirect\n0.962379 0.037619 0.750001 Pr\n0.037619 0.962379 0.250001 Pr\n0.693752 0.195096 0.028547 Al\n0.804902 0.306247 0.471454 Al\n0.589590 0.410409 0.250001 Al\n0.195096 0.693751 0.528547 Al\n0.306247 0.804902 0.971454 Al\n0.410408 0.589589 0.750001 Al\n0.122562 0.491714 0.222107 B\n0.508285 0.877437 0.277894 B\n0.877436 0.508284 0.777894 B\n0.491714 0.122562 0.722108 B\n0.776904 0.718988 0.006039 B\n0.281010 0.223095 0.493962 B\n0.223094 0.281010 0.993962 B\n0.718988 0.776903 0.506040 B\n0.492970 0.696628 0.574466 O\n0.897895 0.422801 0.294531 O\n0.577197 0.102104 0.205470 O\n0.102103 0.577197 0.705471 O\n0.002841 0.804531 0.939722 O\n0.997157 0.195468 0.060279 O\n0.804531 0.002841 0.439722 O\n0.303370 0.507027 0.925536 O\n0.195467 0.997157 0.560280 O\n0.422801 0.897894 0.794531 O\n0.507028 0.303371 0.425536 O\n0.182576 0.693729 0.136797 O\n0.693729 0.182576 0.636798 O\n0.817422 0.306269 0.863204 O\n0.306270 0.817422 0.363204 O\n0.631965 0.869687 0.996104 O\n0.130311 0.368033 0.503897 O\n0.869687 0.631965 0.496104 O\n0.271291 0.355525 0.242824 O\n0.644474 0.728708 0.257177 O\n0.728707 0.644473 0.757177 O\n0.355525 0.271291 0.742824 O\n0.696628 0.492971 0.074466 O\n0.368034 0.130311 0.003897 O\n",
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],
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"formula_full": "Pr2 Al6 B8 O24",
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{
"id": "jvasp-87128",
"created_at": "2022-09-04T14:35:42.121048Z",
"updated_at": "2022-09-04T14:35:42.121073Z",
"structure_string": "Co2 O2\n1.0\n2.860301 0.000001 4.312070\n1.300138 2.547737 4.312070\n0.000002 0.000001 5.174483\nCo O\n2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
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"spacegroup": 225
},
{
"id": "jvasp-119687",
"created_at": "2022-09-04T14:38:36.820001Z",
"updated_at": "2022-09-04T14:38:36.820020Z",
"structure_string": "Al1 Cu7 O12\n1.0\n5.898630 -0.000000 -2.085481\n-2.949315 5.108364 -2.085481\n-0.000000 -0.000000 6.256442\nAl Cu O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n-0.000001 0.500000 -0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.499999 0.500000 -0.000000 Cu\n0.534636 0.833913 0.700723 O\n0.299276 0.465363 0.166086 O\n0.833913 0.700723 0.534636 O\n0.866809 0.166086 0.700723 O\n0.833914 0.299276 0.133190 O\n0.700723 0.866809 0.166086 O\n0.465363 0.166086 0.299276 O\n0.700723 0.534636 0.833913 O\n0.166085 0.700723 0.866809 O\n0.299276 0.133190 0.833914 O\n0.166086 0.299276 0.465363 O\n0.133189 0.833913 0.299276 O\n",
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{
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"created_at": "2022-09-04T14:38:52.401201Z",
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"structure_string": "Si1 H1 O1\n1.0\n2.875647 0.000000 0.000000\n0.000000 2.875647 -0.000000\n-0.000000 0.000000 3.419454\nSi H O\n1 1 1\ndirect\n0.500001 0.500001 0.000000 Si\n0.500001 0.500001 0.499999 H\n0.000000 0.000000 0.000000 O\n",
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{
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},
{
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"created_at": "2022-09-04T14:38:41.511725Z",
"updated_at": "2022-09-04T14:38:41.511754Z",
"structure_string": "Li2 Mn1 F3\n1.0\n2.833516 -0.000000 0.000000\n-1.416758 2.453897 -0.000000\n0.000000 -0.000000 8.132749\nLi Mn F\n2 1 3\ndirect\n0.333333 0.666667 0.143183 Li\n0.666667 0.333333 0.856816 Li\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.717212 F\n0.666667 0.333333 0.282788 F\n0.000000 0.000000 0.000000 F\n",
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}
]
}