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{
"id": "jvasp-21027",
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"updated_at": "2022-09-04T14:37:48.918781Z",
"structure_string": "Sc6 Fe4 Si6\n1.0\n3.948797 0.000000 -0.000000\n-1.974399 4.958320 -0.000000\n0.000000 0.000000 12.912271\nSc Fe Si\n6 4 6\ndirect\n0.360771 0.721541 0.750000 Sc\n0.080487 0.160975 0.612724 Sc\n0.080487 0.160975 0.887276 Sc\n0.919513 0.839025 0.112724 Sc\n0.639230 0.278458 0.250000 Sc\n0.919513 0.839025 0.387276 Sc\n0.214361 0.428723 0.082674 Fe\n0.785640 0.571277 0.582674 Fe\n0.214361 0.428723 0.417326 Fe\n0.785640 0.571277 0.917326 Fe\n0.330001 0.660003 0.250000 Si\n0.617280 0.234560 0.459077 Si\n0.617280 0.234560 0.040923 Si\n0.382720 0.765440 0.540923 Si\n0.669999 0.339997 0.750000 Si\n0.382720 0.765440 0.959077 Si\n",
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{
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"structure_string": "Bi4 Br12\n1.0\n7.164619 0.000000 -0.197611\n0.000000 12.416967 0.000000\n-2.188132 0.000000 6.479051\nBi Br\n4 12\ndirect\n0.500341 0.333647 0.000276 Bi\n-0.000341 0.833647 -0.000276 Bi\n0.000341 0.166353 0.000276 Bi\n0.499659 0.666354 -0.000276 Bi\n0.247590 0.168439 0.742949 Br\n0.254405 0.499822 0.736420 Br\n0.253406 0.331328 0.257909 Br\n0.246594 0.831328 0.742091 Br\n0.245595 -0.000178 0.263580 Br\n0.747590 0.331561 0.742949 Br\n0.252410 0.668439 0.257051 Br\n0.754405 0.000178 0.736420 Br\n0.753406 0.168672 0.257909 Br\n0.746594 0.668672 0.742092 Br\n0.745595 0.500178 0.263580 Br\n0.752410 0.831561 0.257051 Br\n",
"nsites": 16,
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:37:56.771674Z",
"updated_at": "2022-09-04T14:37:56.771693Z",
"structure_string": "Li2 Cr2 P2 O8 F2\n1.0\n5.133056 -0.015572 -0.003959\n-0.761002 5.239473 0.001751\n-2.262875 -2.437561 6.332492\nLi Cr P O F\n2 2 2 8 2\ndirect\n0.269199 0.618530 0.195925 Li\n0.730801 0.381470 0.804074 Li\n0.000000 0.000000 0.000000 Cr\n-0.000001 -0.000000 0.500000 Cr\n0.320611 0.641605 0.761541 P\n0.679389 0.358395 0.238459 P\n0.312813 0.337440 0.658610 O\n0.687187 0.662559 0.341389 O\n0.370704 0.236501 0.073393 O\n0.748457 0.217506 0.400215 O\n0.629296 0.763498 0.926606 O\n0.251543 0.782493 0.599784 O\n0.111137 0.660397 0.881569 O\n0.888862 0.339603 0.118431 O\n0.132340 0.938006 0.265902 F\n0.867660 0.061993 0.734098 F\n",
"nsites": 16,
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{
"id": "jvasp-20777",
"created_at": "2022-09-04T14:37:56.628173Z",
"updated_at": "2022-09-04T14:37:56.628199Z",
"structure_string": "Y10 Si6\n1.0\n4.228460 -7.323906 0.000000\n4.228460 7.323906 -0.000000\n-0.000000 -0.000000 6.374587\nY Si\n10 6\ndirect\n0.243643 0.243643 0.750000 Y\n0.756357 0.756357 0.250000 Y\n0.243643 -0.000000 0.250000 Y\n-0.000000 0.756358 0.750000 Y\n0.756358 -0.000000 0.750000 Y\n-0.000000 0.243643 0.250000 Y\n0.333333 0.666667 0.500000 Y\n0.666667 0.333333 0.000000 Y\n0.666667 0.333333 0.500000 Y\n0.333333 0.666667 0.000000 Y\n-0.000000 0.393790 0.750000 Si\n0.606210 -0.000000 0.250000 Si\n0.393790 0.393790 0.250000 Si\n0.606210 0.606210 0.750000 Si\n0.393790 -0.000000 0.750000 Si\n-0.000000 0.606210 0.250000 Si\n",
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{
"id": "jvasp-50038",
"created_at": "2022-09-04T14:37:37.282907Z",
"updated_at": "2022-09-04T14:37:37.282930Z",
"structure_string": "Dy4 Ti2 O10\n1.0\n5.898731 2.623614 -0.040370\n-5.898731 2.623614 0.040370\n-2.978191 0.000000 6.820006\nDy Ti O\n4 2 10\ndirect\n0.331770 0.620164 0.727382 Dy\n0.379835 0.668229 0.227382 Dy\n0.620164 0.331770 0.772619 Dy\n0.668229 0.379834 0.272619 Dy\n0.000000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000781 0.667343 0.633276 O\n0.332655 0.999218 0.133276 O\n0.611074 0.764821 0.533532 O\n0.159196 0.159196 0.750000 O\n0.764822 0.611074 0.966469 O\n0.235177 0.388924 0.033532 O\n0.840802 0.840802 0.250000 O\n0.388924 0.235177 0.466469 O\n0.667343 0.000781 0.866725 O\n0.999218 0.332655 0.366725 O\n",
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"formula_full": "Dy4 Ti2 O10",
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{
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"created_at": "2022-09-04T14:37:50.548780Z",
"updated_at": "2022-09-04T14:37:50.548790Z",
"structure_string": "Hg8 I4 O4\n1.0\n6.595530 -0.001466 -1.259718\n-0.498380 6.580160 -2.617035\n0.031764 0.028071 9.692941\nHg I O\n8 4 4\ndirect\n0.222877 0.088600 0.852996 Hg\n0.277122 0.235605 0.147004 Hg\n0.777122 0.911399 0.147004 Hg\n0.722877 0.764394 0.852996 Hg\n0.228145 0.147594 0.495088 Hg\n0.271855 0.652506 0.504912 Hg\n0.771855 0.852405 0.504912 Hg\n0.728145 0.347493 0.495088 Hg\n0.314369 0.780819 0.222390 I\n0.185630 0.558429 0.777610 I\n0.685630 0.219181 0.777610 I\n0.814369 0.441570 0.222390 I\n0.162589 0.947926 0.606620 O\n0.337411 0.341307 0.393381 O\n0.837411 0.052073 0.393380 O\n0.662589 0.658692 0.606619 O\n",
"nsites": 16,
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"formula_full": "Hg8 I4 O4",
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{
"id": "jvasp-50044",
"created_at": "2022-09-04T14:37:37.300809Z",
"updated_at": "2022-09-04T14:37:37.300826Z",
"structure_string": "Ti2 Bi4 O10\n1.0\n0.000000 4.018153 0.000000\n-6.186986 2.009076 -0.000000\n-0.000000 0.000000 10.351985\nTi Bi O\n2 4 10\ndirect\n0.162400 0.675202 0.250000 Ti\n0.837600 0.324799 0.750000 Ti\n0.141779 0.716442 0.924425 Bi\n0.141779 0.716442 0.575576 Bi\n0.858221 0.283558 0.075576 Bi\n0.858221 0.283558 0.424424 Bi\n0.061292 0.877418 0.381473 O\n0.061292 0.877418 0.118527 O\n0.724721 0.550559 0.914369 O\n0.724721 0.550559 0.585632 O\n0.295536 0.408930 0.750000 O\n0.704464 0.591071 0.250000 O\n0.275279 0.449442 0.085632 O\n0.275279 0.449442 0.414369 O\n0.938708 0.122583 0.618527 O\n0.938708 0.122583 0.881474 O\n",
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{
"id": "jvasp-9283",
"created_at": "2022-09-04T14:37:56.498193Z",
"updated_at": "2022-09-04T14:37:56.498219Z",
"structure_string": "Mg4 Co4 O8\n1.0\n2.906852 0.008778 -0.036488\n1.435095 7.494049 0.177252\n0.099443 0.793637 8.113562\nMg Co O\n4 4 8\ndirect\n0.643451 0.682577 0.976320 Mg\n0.340437 0.289220 0.043764 Mg\n0.550032 0.869193 0.262980 Mg\n0.433851 0.102607 0.757106 Mg\n0.771787 0.426288 0.715732 Co\n0.127271 0.714842 0.652184 Co\n0.856603 0.256958 0.367896 Co\n0.212091 0.545511 0.304349 Co\n0.764271 0.441309 0.165106 O\n0.872196 0.225636 0.593870 O\n0.111688 0.746162 0.426213 O\n0.219612 0.530489 0.854974 O\n0.887434 0.195315 0.906153 O\n0.562981 0.843299 0.755355 O\n0.096451 0.776483 0.113929 O\n0.420894 0.128500 0.264727 O\n",
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{
"id": "jvasp-23777",
"created_at": "2022-09-04T14:37:50.616570Z",
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"structure_string": "Hf10 Ga6\n1.0\n3.986136 -6.904190 0.000000\n3.986136 6.904190 -0.000000\n-0.000000 -0.000000 5.662972\nHf Ga\n10 6\ndirect\n0.333334 0.666668 0.000000 Hf\n0.666668 0.333334 0.500000 Hf\n0.666668 0.333334 0.000000 Hf\n0.333334 0.666668 0.500000 Hf\n0.240790 0.000000 0.250000 Hf\n0.240790 0.240790 0.750000 Hf\n0.000000 0.759211 0.750000 Hf\n0.000000 0.240790 0.250000 Hf\n0.759211 0.759211 0.250000 Hf\n0.759211 0.000000 0.750000 Hf\n0.607545 0.000000 0.250000 Ga\n0.607545 0.607545 0.750000 Ga\n0.000000 0.392455 0.750000 Ga\n0.000000 0.607545 0.250000 Ga\n0.392456 0.392456 0.250000 Ga\n0.392455 0.000000 0.750000 Ga\n",
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{
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"created_at": "2022-09-04T14:37:56.416913Z",
"updated_at": "2022-09-04T14:37:56.416943Z",
"structure_string": "Li8 Ge8\n1.0\n5.269471 0.000000 2.208896\n2.634737 6.977515 1.104445\n-0.062740 0.000004 7.539457\nLi Ge\n8 8\ndirect\n0.465804 0.193846 0.535866 Li\n0.001670 0.964135 0.193845 Li\n0.159650 0.535866 0.306154 Li\n0.195516 0.306154 0.964135 Li\n0.534196 0.806154 0.464134 Li\n-0.001670 0.035865 0.806154 Li\n0.840350 0.464134 0.693846 Li\n0.804484 0.693846 0.035866 Li\n0.061489 0.159177 0.447682 Ge\n0.509171 0.052318 0.159177 Ge\n0.720667 0.447682 0.340823 Ge\n0.668349 0.340823 0.052318 Ge\n0.938511 0.840823 0.552318 Ge\n0.490829 0.947682 0.840823 Ge\n0.279333 0.552318 0.659177 Ge\n0.331651 0.659177 0.947682 Ge\n",
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{
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"created_at": "2022-09-04T14:37:37.396996Z",
"updated_at": "2022-09-04T14:37:37.397022Z",
"structure_string": "Sr2 Sm1 Cu3 Pb2 O8\n1.0\n3.844858 0.000000 -0.000000\n-0.000000 3.844858 0.000000\n-0.000000 0.000000 15.976977\nSr Sm Cu Pb O\n2 1 3 2 8\ndirect\n0.000000 0.000000 0.778486 Sr\n0.000000 0.000000 0.221514 Sr\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.893164 Cu\n0.500000 0.500000 0.106836 Cu\n0.500000 0.500000 0.387390 Pb\n0.500000 0.500000 0.612610 Pb\n0.000000 0.500000 0.905031 O\n0.500000 0.000000 0.094969 O\n0.000000 0.500000 0.094969 O\n0.500000 0.000000 0.905031 O\n0.000000 0.000000 0.383571 O\n0.500000 0.500000 0.748878 O\n0.500000 0.500000 0.251122 O\n0.000000 0.000000 0.616429 O\n",
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{
"id": "jvasp-49926",
"created_at": "2022-09-04T14:37:56.397890Z",
"updated_at": "2022-09-04T14:37:56.397908Z",
"structure_string": "Na4 Tm4 O8\n1.0\n-4.817695 -0.000000 -3.286177\n0.072070 6.518781 -3.288646\n4.961836 0.000000 -3.291114\nNa Tm O\n4 4 8\ndirect\n0.805561 0.388879 0.055562 Na\n0.430041 0.139917 0.180042 Na\n0.569958 0.860083 0.819959 Na\n0.194439 0.611121 0.944439 Na\n0.943357 0.113284 0.693359 Tm\n0.682762 0.634475 0.432763 Tm\n0.317238 0.365525 0.567238 Tm\n0.056642 0.886716 0.306642 Tm\n0.940674 0.626870 0.231232 O\n0.830965 0.876130 0.542186 O\n0.292906 0.876130 0.081685 O\n0.567544 0.373130 0.358101 O\n0.432456 0.626870 0.641900 O\n0.707094 0.123870 0.918316 O\n0.169035 0.123870 0.457815 O\n0.059325 0.373130 0.768769 O\n",
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}
]
}