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{
"id": "jvasp-91239",
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"structure_string": "Rb4 As4 O4 F16\n1.0\n5.118723 0.000000 -0.166741\n0.000000 5.949780 0.000000\n0.041295 0.000000 14.073069\nRb As O F\n4 4 4 16\ndirect\n0.486087 0.627994 0.153192 Rb\n0.513913 0.372006 0.846808 Rb\n0.986087 0.872006 0.653192 Rb\n0.013913 0.127994 0.346808 Rb\n0.073733 0.117948 0.078732 As\n0.426267 0.617948 0.421268 As\n0.926267 0.882052 0.921268 As\n0.573733 0.382052 0.578733 As\n0.709661 0.600301 0.502478 O\n0.790339 0.100301 0.997522 O\n0.290339 0.399699 0.497522 O\n0.209661 0.899699 0.002478 O\n0.554278 0.409956 0.339568 F\n0.723953 0.155141 0.515876 F\n0.776047 0.655141 0.984124 F\n0.276047 0.844859 0.484124 F\n0.429163 0.172191 0.652366 F\n0.945721 0.909956 0.160432 F\n0.070838 0.672191 0.847634 F\n0.929163 0.327809 0.152366 F\n0.857929 0.381125 0.657203 F\n0.642071 0.881125 0.842797 F\n0.223953 0.344859 0.015876 F\n0.357929 0.118875 0.157203 F\n0.445722 0.590044 0.660432 F\n0.054279 0.090044 0.839568 F\n0.570837 0.827809 0.347634 F\n0.142071 0.618875 0.342797 F\n",
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{
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"structure_string": "Al4 B4 Pb4 O16\n1.0\n5.798416 -0.000000 0.000000\n0.000000 6.857548 0.000000\n0.000000 0.000000 8.231830\nAl B Pb O\n4 4 4 16\ndirect\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.750001 0.728015 0.242709 B\n0.750001 0.228015 0.257291 B\n0.250000 0.771986 0.742709 B\n0.250000 0.271985 0.757291 B\n0.750001 0.451567 0.859880 Pb\n0.750001 0.951567 0.640120 Pb\n0.250000 0.548434 0.140120 Pb\n0.250000 0.048433 0.359880 Pb\n0.750001 0.829555 0.097019 O\n0.543926 0.674604 0.316023 O\n0.750001 0.603764 0.607207 O\n0.250000 0.670446 0.597019 O\n0.043925 0.825397 0.816023 O\n0.543926 0.174603 0.183977 O\n0.250000 0.170446 0.902981 O\n0.956075 0.674604 0.316023 O\n0.250000 0.896236 0.107207 O\n0.043925 0.325397 0.683977 O\n0.750001 0.103764 0.892793 O\n0.456075 0.325397 0.683977 O\n0.250000 0.396236 0.392793 O\n0.956075 0.174603 0.183977 O\n0.750001 0.329554 0.402981 O\n0.456075 0.825397 0.816023 O\n",
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{
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"updated_at": "2022-09-04T14:35:55.955781Z",
"structure_string": "Li4 Fe3 Ni2 Sn3 O16\n1.0\n5.969548 0.009510 -0.053372\n2.983538 5.170483 -0.053248\n0.076313 0.043646 9.493698\nLi Fe Ni Sn O\n4 3 2 3 16\ndirect\n0.679044 0.679078 0.886253 Li\n0.967903 0.967902 0.990727 Li\n0.980243 0.980244 0.502718 Li\n0.341736 0.341766 0.397935 Li\n0.830515 0.830536 0.215629 Fe\n0.177571 0.660502 0.713497 Fe\n0.660478 0.177595 0.713495 Fe\n0.667786 0.667809 0.494271 Ni\n0.335504 0.335527 0.984972 Ni\n0.170432 0.170463 0.713524 Sn\n0.337851 0.833903 0.213171 Sn\n0.833879 0.337870 0.213168 Sn\n0.155212 0.155234 0.084191 O\n0.145180 0.672054 0.104547 O\n0.344932 0.344956 0.604560 O\n0.501898 0.048377 0.838308 O\n0.048350 0.501925 0.838308 O\n0.837250 0.837268 0.616924 O\n0.968565 0.535309 0.339087 O\n0.520675 0.520695 0.348627 O\n0.824294 0.316775 0.599192 O\n0.991398 0.991423 0.809090 O\n0.989722 0.989744 0.319124 O\n0.677434 0.677457 0.096636 O\n0.487766 0.487792 0.827062 O\n0.316754 0.824318 0.599196 O\n0.535285 0.968592 0.339086 O\n0.672041 0.145193 0.104542 O\n",
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{
"id": "jvasp-87181",
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"updated_at": "2022-09-04T14:36:00.339218Z",
"structure_string": "Cu4 As8 O16\n1.0\n5.630022 -0.000000 0.000000\n-0.000000 8.667637 0.000000\n0.000000 -0.000000 8.667637\nCu As O\n4 8 16\ndirect\n0.250000 0.500000 0.000000 Cu\n0.750000 0.000000 0.500000 Cu\n0.750000 0.500000 0.000000 Cu\n0.250000 0.000000 0.500000 Cu\n0.500000 0.341108 0.300168 As\n0.000000 0.300168 0.658892 As\n0.000000 0.699833 0.341108 As\n0.000000 0.199832 0.158892 As\n0.500000 0.841108 0.199832 As\n0.500000 0.158892 0.800168 As\n0.000000 0.800168 0.841108 As\n0.500000 0.658892 0.699833 As\n0.250000 0.298678 0.798678 O\n0.750000 0.201322 0.298678 O\n0.500000 0.874244 0.404924 O\n0.750000 0.298678 0.798678 O\n0.250000 0.201322 0.298678 O\n0.250000 0.798678 0.701322 O\n0.750000 0.701322 0.201322 O\n0.000000 0.095076 0.625757 O\n0.500000 0.374244 0.095076 O\n0.500000 0.625757 0.904924 O\n0.000000 0.904924 0.374244 O\n0.000000 0.595076 0.874244 O\n0.000000 0.404924 0.125756 O\n0.500000 0.125756 0.595076 O\n0.250000 0.701322 0.201322 O\n0.750000 0.798678 0.701322 O\n",
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{
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"structure_string": "Zr2 H12 O6 F8\n1.0\n5.605510 0.064882 -1.480714\n-3.345140 5.846706 -0.118323\n0.100207 -0.006181 7.627826\nZr H O F\n2 12 6 8\ndirect\n0.736073 0.848759 0.781756 Zr\n0.263928 0.151242 0.218245 Zr\n0.171888 0.660350 0.766412 H\n0.705794 0.447334 0.069313 H\n0.294207 0.552667 0.930688 H\n0.451626 0.836202 0.337951 H\n0.548375 0.163799 0.662051 H\n0.828112 0.339650 0.233589 H\n0.417734 0.068532 0.827620 H\n0.217785 0.460173 0.440629 H\n0.782216 0.539827 0.559372 H\n0.016863 0.217806 0.483465 H\n0.983137 0.782195 0.516536 H\n0.582267 0.931469 0.172381 H\n0.666956 0.353492 0.168029 O\n0.333045 0.646509 0.831973 O\n0.448339 0.922560 0.234976 O\n0.075722 0.301479 0.381416 O\n0.924278 0.698521 0.618586 O\n0.551661 0.077440 0.765025 O\n0.460084 0.711328 0.522196 F\n0.748538 0.585032 0.896782 F\n0.251462 0.414969 0.103220 F\n0.176645 0.007033 0.939752 F\n0.823355 -0.007033 0.060249 F\n0.943610 0.104198 0.651621 F\n0.056391 0.895802 0.348381 F\n0.539917 0.288673 0.477806 F\n",
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{
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"updated_at": "2022-09-04T14:36:05.680319Z",
"structure_string": "Na12 As4 S12\n1.0\n8.520953 0.000000 -0.000000\n-0.000000 8.520953 -0.000000\n0.000000 0.000000 8.520953\nNa As S\n12 4 12\ndirect\n0.438933 0.438933 0.438933 Na\n0.061067 0.561067 0.938932 Na\n0.561067 0.938932 0.061067 Na\n0.938932 0.061067 0.561067 Na\n0.930273 0.930273 0.930273 Na\n0.569727 0.069727 0.430273 Na\n0.069727 0.430273 0.569727 Na\n0.430273 0.569727 0.069727 Na\n0.670819 0.670819 0.670819 Na\n0.829180 0.329181 0.170819 Na\n0.329181 0.170819 0.829180 Na\n0.170819 0.829180 0.329181 Na\n0.720292 0.279707 0.779707 As\n0.779707 0.720292 0.279707 As\n0.279707 0.779707 0.720292 As\n0.220293 0.220293 0.220293 As\n0.142208 0.476689 0.249605 S\n0.357792 0.523310 0.749605 S\n0.857792 0.976689 0.250394 S\n0.642207 0.023311 0.750394 S\n0.249605 0.142208 0.476689 S\n0.749605 0.357792 0.523310 S\n0.250394 0.857792 0.976689 S\n0.750394 0.642207 0.023311 S\n0.476689 0.249605 0.142208 S\n0.523310 0.749605 0.357792 S\n0.976689 0.250394 0.857792 S\n0.023311 0.750394 0.642207 S\n",
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{
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"structure_string": "Zn8 B3 H3 O14\n1.0\n6.864912 -0.056522 3.198423\n2.015522 6.562613 3.198423\n-0.077150 -0.056522 7.573042\nZn B H O\n8 3 3 14\ndirect\n0.407402 0.407403 0.407402 Zn\n0.516879 0.770383 0.956573 Zn\n0.770382 0.956574 0.516879 Zn\n0.483121 0.043427 0.229617 Zn\n0.956573 0.516880 0.770382 Zn\n0.229617 0.483121 0.043426 Zn\n0.592597 0.592598 0.592597 Zn\n0.043426 0.229617 0.483121 Zn\n0.797528 0.500000 0.202471 B\n0.202471 0.797529 0.500000 B\n0.500000 0.202472 0.797528 B\n0.862836 0.000000 0.137163 H\n0.137164 0.862836 -0.000000 H\n-0.000000 0.137164 0.862836 H\n0.610299 0.541646 0.181948 O\n0.745003 0.000000 0.254996 O\n0.704299 0.704300 0.704299 O\n-0.000000 0.254997 0.745003 O\n0.458353 0.389701 0.818051 O\n0.389700 0.818051 0.458353 O\n0.032741 0.967259 0.500000 O\n0.541646 0.181949 0.610299 O\n0.254996 0.745003 -0.000000 O\n0.181948 0.610300 0.541646 O\n0.818051 0.458354 0.389700 O\n0.967259 0.500000 0.032741 O\n0.295700 0.295700 0.295700 O\n0.500000 0.032742 0.967258 O\n",
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{
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"structure_string": "Li4 Mn4 Si4 O16\n1.0\n5.025379 0.000000 0.000000\n0.000000 6.863496 0.000000\n0.000000 0.000000 9.475464\nLi Mn Si O\n4 4 4 16\ndirect\n0.752960 0.471025 0.190719 Li\n0.252960 0.971026 0.309280 Li\n0.752960 0.028975 0.690719 Li\n0.252960 0.528975 0.809280 Li\n0.812820 0.976911 0.115801 Mn\n0.312819 0.476911 0.384199 Mn\n0.812820 0.523090 0.615801 Mn\n0.312819 0.023089 0.884199 Mn\n0.738760 0.731360 0.910246 Si\n0.238760 0.231359 0.589754 Si\n0.738760 0.768641 0.410246 Si\n0.238760 0.268641 0.089754 Si\n0.872659 0.567249 0.809830 O\n0.867687 0.958996 0.902035 O\n0.367686 0.458996 0.597964 O\n0.372659 0.067249 0.690169 O\n0.921163 0.258725 0.627575 O\n0.788106 0.798046 0.580857 O\n0.288106 0.201955 0.419143 O\n0.921163 0.241275 0.127575 O\n0.872659 0.932752 0.309830 O\n0.867687 0.541005 0.402035 O\n0.367686 0.041005 0.097965 O\n0.372659 0.432752 0.190169 O\n0.421163 0.758726 0.872425 O\n0.788106 0.701955 0.080857 O\n0.421163 0.741275 0.372425 O\n0.288106 0.298046 0.919143 O\n",
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{
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"updated_at": "2022-09-04T14:35:56.037222Z",
"structure_string": "Si4 Pb8 Se16\n1.0\n7.170023 0.000000 0.000000\n0.000000 8.102560 -2.692274\n0.000000 0.101883 13.914315\nSi Pb Se\n4 8 16\ndirect\n0.263070 0.442475 0.642706 Si\n0.763070 0.057524 0.857294 Si\n0.736930 0.557524 0.357294 Si\n0.236930 0.942475 0.142706 Si\n0.845994 0.683746 0.626502 Pb\n0.345995 0.816254 0.873499 Pb\n0.143758 0.809012 0.365133 Pb\n0.643757 0.690988 0.134867 Pb\n0.856242 0.190988 0.634867 Pb\n0.356242 0.309011 0.865133 Pb\n0.654005 0.183746 0.126501 Pb\n0.154005 0.316254 0.373499 Pb\n0.467272 0.515675 0.264323 Se\n0.529064 0.005351 0.737630 Se\n0.532728 0.484324 0.735678 Se\n0.032728 0.015675 0.764323 Se\n0.260836 0.671096 0.043114 Se\n0.760836 0.828904 0.456887 Se\n0.739164 0.328904 0.956887 Se\n0.239164 0.171096 0.543114 Se\n0.970935 0.505351 0.237630 Se\n0.470935 0.994649 0.262371 Se\n0.257794 0.126704 0.052438 Se\n0.757794 0.373296 0.447562 Se\n0.742206 0.873296 0.947562 Se\n0.242206 0.626703 0.552439 Se\n0.029065 0.494649 0.762371 Se\n0.967272 0.984324 0.235678 Se\n",
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