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{
"id": "jvasp-12048",
"created_at": "2022-09-04T14:37:56.728059Z",
"updated_at": "2022-09-04T14:37:56.728075Z",
"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",
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{
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"structure_string": "Dy10 Co4 Bi2\n1.0\n6.847637 0.085853 -5.307665\n-1.593998 6.660081 -5.307665\n-0.066861 -0.085853 8.663543\nDy Co Bi\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 -0.000001 Dy\n0.785581 0.285581 0.812336 Dy\n0.214419 0.714419 0.187664 Dy\n0.473246 0.973246 0.187664 Dy\n0.285581 0.473246 0.500000 Dy\n0.026754 0.214419 0.500000 Dy\n0.526755 0.026754 0.812335 Dy\n0.714419 0.526754 0.499999 Dy\n0.973246 0.785581 0.499999 Dy\n0.139779 0.639780 0.779558 Co\n0.860221 0.360220 0.220440 Co\n0.639779 0.860220 0.499999 Co\n0.360221 0.139779 0.500000 Co\n0.250000 0.250000 -0.000000 Bi\n0.750000 0.750000 -0.000001 Bi\n",
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{
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"created_at": "2022-09-04T14:38:53.019530Z",
"updated_at": "2022-09-04T14:38:53.019558Z",
"structure_string": "Er16 Mg4 Rh4\n1.0\n8.265412 -0.000000 4.772038\n2.755137 7.792705 4.772038\n-0.000000 -0.000000 9.544076\nEr Mg Rh\n16 4 4\ndirect\n0.347016 0.347017 0.347017 Er\n0.934595 0.934595 0.565406 Er\n0.565405 0.565406 0.934595 Er\n0.934595 0.565406 0.934595 Er\n0.565405 0.934595 0.565406 Er\n0.934595 0.565406 0.565406 Er\n0.812402 0.812402 0.187598 Er\n0.187598 0.187598 0.812402 Er\n0.565405 0.934595 0.934595 Er\n0.187598 0.812402 0.187598 Er\n0.187598 0.812402 0.812402 Er\n0.812402 0.187598 0.187599 Er\n0.958949 0.347017 0.347017 Er\n0.347016 0.958950 0.347017 Er\n0.347016 0.347017 0.958950 Er\n0.812402 0.187598 0.812402 Er\n0.579911 0.579912 0.579912 Mg\n0.579911 0.579912 0.260265 Mg\n0.579911 0.260265 0.579912 Mg\n0.260265 0.579912 0.579912 Mg\n0.141731 0.574808 0.141731 Rh\n0.141731 0.141731 0.141731 Rh\n0.141731 0.141731 0.574808 Rh\n0.574807 0.141731 0.141731 Rh\n",
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{
"id": "jvasp-120485",
"created_at": "2022-09-04T14:38:50.959599Z",
"updated_at": "2022-09-04T14:38:50.959623Z",
"structure_string": "Ca2 Mg2 P2 O8 F2\n1.0\n5.328606 -0.026101 1.242889\n-1.883318 4.984760 1.242889\n0.011472 0.016511 6.929326\nCa Mg P O F\n2 2 2 8 2\ndirect\n0.662468 0.337532 0.750001 Ca\n0.337532 0.662468 0.250000 Ca\n-0.000000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.320739 0.679260 0.750001 P\n0.679261 0.320740 0.250000 P\n0.598442 0.742683 0.588233 O\n0.401558 0.257317 0.411768 O\n0.257317 0.401558 0.911768 O\n0.742683 0.598442 0.088232 O\n0.328827 0.890163 0.868828 O\n0.671173 0.109837 0.131173 O\n0.109836 0.671173 0.631174 O\n0.890164 0.328827 0.368827 O\n0.915552 0.084449 0.750000 F\n0.084448 0.915551 0.250000 F\n",
"nsites": 16,
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{
"id": "jvasp-12049",
"created_at": "2022-09-04T14:35:57.762871Z",
"updated_at": "2022-09-04T14:35:57.762892Z",
"structure_string": "Y2 Br2 O2\n1.0\n1.917620 1.107139 9.908901\n-1.917620 1.107139 9.908901\n0.000000 -2.214277 9.908901\nY Br O\n2 2 2\ndirect\n0.285312 0.285312 0.285312 Y\n0.714688 0.714688 0.714688 Y\n0.112700 0.112700 0.112700 Br\n0.887300 0.887300 0.887300 Br\n0.362146 0.362146 0.362146 O\n0.637854 0.637854 0.637854 O\n",
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},
{
"id": "jvasp-120490",
"created_at": "2022-09-04T14:38:52.393218Z",
"updated_at": "2022-09-04T14:38:52.393245Z",
"structure_string": "Zr1 U4 O10\n1.0\n3.770278 -0.002089 15.110826\n1.854915 3.282421 15.110826\n-0.003583 -0.002089 15.574082\nZr U O\n1 4 10\ndirect\n0.000000 0.000000 0.000000 Zr\n0.602345 0.602345 0.602346 U\n0.200805 0.200805 0.200805 U\n0.799195 0.799194 0.799196 U\n0.397655 0.397655 0.397655 U\n0.046779 0.046779 0.046779 O\n0.850313 0.850312 0.850313 O\n0.448516 0.448515 0.448516 O\n0.652543 0.652542 0.652543 O\n0.252153 0.252152 0.252153 O\n0.347458 0.347458 0.347458 O\n0.149688 0.149688 0.149688 O\n0.747848 0.747847 0.747848 O\n0.953222 0.953221 0.953222 O\n0.551485 0.551484 0.551485 O\n",
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{
"id": "jvasp-120491",
"created_at": "2022-09-04T14:38:52.182600Z",
"updated_at": "2022-09-04T14:38:52.182625Z",
"structure_string": "Zr10 Al2 Ni8\n1.0\n7.165628 -0.000000 0.000000\n0.000000 7.165628 0.000000\n0.000000 -0.000000 6.622876\nZr Al Ni\n10 2 8\ndirect\n0.316658 0.816658 0.250000 Zr\n0.000000 0.000000 0.000000 Zr\n0.341311 0.841311 0.750000 Zr\n0.658690 0.158690 0.750000 Zr\n0.158690 0.341311 0.250000 Zr\n0.500000 0.500000 0.500000 Zr\n0.816658 0.683342 0.750000 Zr\n0.183342 0.316658 0.750000 Zr\n0.683342 0.183342 0.250000 Zr\n0.841311 0.658690 0.250000 Zr\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.625528 0.874410 0.030525 Ni\n0.125590 0.625528 0.969476 Ni\n0.874410 0.374472 0.969476 Ni\n0.374410 0.125528 0.469475 Ni\n0.625590 0.874472 0.469475 Ni\n0.874472 0.374410 0.530525 Ni\n0.125528 0.625590 0.530525 Ni\n0.374472 0.125590 0.030525 Ni\n",
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{
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"created_at": "2022-09-04T14:38:39.416058Z",
"updated_at": "2022-09-04T14:38:39.416085Z",
"structure_string": "Yb4 Cd1 S7\n1.0\n6.565555 -0.050928 4.075577\n5.324056 3.842335 4.075577\n1.057169 0.337114 11.573440\nYb Cd S\n4 1 7\ndirect\n0.312006 0.312004 0.813863 Yb\n0.695771 0.695770 0.182309 Yb\n0.005702 0.005702 -0.004588 Yb\n0.915620 0.915619 0.414260 Yb\n0.075446 0.075445 0.595062 Cd\n0.302311 0.302311 0.366797 S\n0.682270 0.682269 0.641335 S\n0.666770 0.666768 0.835137 S\n0.341952 0.341952 0.157049 S\n0.895846 0.895844 0.873630 S\n0.107160 0.107160 0.126007 S\n0.499154 0.499153 0.499140 S\n",
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{
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"created_at": "2022-09-04T14:38:52.403834Z",
"updated_at": "2022-09-04T14:38:52.403858Z",
"structure_string": "Ti2 Cr2 Cu2 S8\n1.0\n6.132203 -0.005760 -3.417736\n-2.030634 5.691327 -3.573539\n0.008518 0.005760 7.020310\nTi Cr Cu S\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Ti\n0.000000 -0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Cr\n0.000001 0.500000 0.500000 Cr\n0.624446 0.874446 0.750000 Cu\n0.375555 0.125555 0.250000 Cu\n0.233482 0.743309 0.490173 S\n0.753137 0.743309 0.009827 S\n0.754404 0.737343 0.482939 S\n0.754404 0.271464 0.017061 S\n0.766519 0.256691 0.509827 S\n0.246864 0.256691 0.990172 S\n0.245596 0.262657 0.517061 S\n0.245597 0.728536 0.982939 S\n",
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{
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"created_at": "2022-09-04T14:38:53.079719Z",
"updated_at": "2022-09-04T14:38:53.079743Z",
"structure_string": "Ta3 Si12 Mo3\n1.0\n13.151320 -0.000000 0.000000\n-0.000000 4.111854 2.345614\n0.000000 -0.001960 4.753121\nTa Si Mo\n3 12 3\ndirect\n0.249262 -0.000000 0.500000 Ta\n0.583844 0.500000 0.500000 Ta\n0.083428 0.500000 0.500000 Ta\n0.081948 0.164316 0.156181 Si\n0.583457 0.161796 0.164730 Si\n0.251142 0.678917 0.158018 Si\n0.750972 0.676804 0.158882 Si\n0.416616 0.162159 0.679597 Si\n0.915832 0.157990 0.675145 Si\n0.081948 0.835683 0.843819 Si\n0.583457 0.838203 0.835270 Si\n0.251142 0.321082 0.841982 Si\n0.750972 0.323195 0.841118 Si\n0.416616 0.837840 0.320402 Si\n0.915832 0.842009 0.324855 Si\n0.916286 0.500000 -0.000000 Mo\n0.416416 0.500000 -0.000000 Mo\n0.750826 -0.000000 0.500000 Mo\n",
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{
"id": "jvasp-120499",
"created_at": "2022-09-04T14:38:53.089472Z",
"updated_at": "2022-09-04T14:38:53.089504Z",
"structure_string": "Sr4 Pr1 Mn5 O15\n1.0\n8.287450 -0.001035 2.220759\n6.513356 5.124257 2.220759\n-0.003705 -0.001283 6.641929\nSr Pr Mn O\n4 1 5 15\ndirect\n0.100108 0.100108 0.098792 Sr\n0.700197 0.700199 0.700386 Sr\n0.299802 0.299803 0.299615 Sr\n0.899891 0.899894 0.901208 Sr\n0.499999 0.500001 0.500000 Pr\n0.500000 0.500001 -0.000000 Mn\n0.299338 0.299339 0.801804 Mn\n0.899064 0.899066 0.400596 Mn\n0.100935 0.100936 0.599404 Mn\n0.700661 0.700663 0.198196 Mn\n0.599835 0.109622 0.599103 O\n0.000000 0.500000 -0.000000 O\n0.205536 0.697240 0.205850 O\n0.598272 0.598274 0.104980 O\n-0.000000 0.000000 0.500000 O\n0.798712 0.798714 0.305928 O\n0.697239 0.205537 0.205850 O\n0.401726 0.401728 0.895020 O\n0.500000 0.000000 0.000000 O\n0.890378 0.400165 0.400898 O\n0.794462 0.302762 0.794150 O\n0.109620 0.599837 0.599103 O\n0.302759 0.794465 0.794150 O\n0.201287 0.201288 0.694072 O\n0.400163 0.890380 0.400898 O\n",
"nsites": 25,
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"formula_full": "Sr4 Pr1 Mn5 O15",
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{
"id": "jvasp-12050",
"created_at": "2022-09-04T14:36:13.136673Z",
"updated_at": "2022-09-04T14:36:13.136701Z",
"structure_string": "Mg1 Re2 O8\n1.0\n5.804737 -0.000253 0.000101\n-2.902587 5.026799 -0.000005\n0.000150 0.000011 6.081865\nMg Re O\n1 2 8\ndirect\n0.999983 0.000001 -0.000001 Mg\n0.333296 0.666643 0.288258 Re\n0.666668 0.333357 0.711742 Re\n0.168119 0.831245 0.193433 O\n0.168671 0.336766 0.193592 O\n0.333265 0.666715 0.574345 O\n0.336811 0.168181 0.806458 O\n0.663154 0.831820 0.193541 O\n0.666699 0.333286 0.425656 O\n0.831292 0.663234 0.806407 O\n0.831845 0.168757 0.806566 O\n",
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"formula_full": "Mg1 Re2 O8",
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"spacegroup": 164
}
]
}