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{
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{
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"structure_string": "Yb1 Mn28\n1.0\n7.038345 -0.000000 -2.488431\n-3.519172 6.095385 -2.488431\n-0.000000 -0.000000 7.465292\nYb Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Yb\n0.623662 0.623663 0.822000 Mn\n0.198337 0.000000 0.376337 Mn\n0.000000 0.198338 0.376338 Mn\n0.801663 0.801663 0.178000 Mn\n0.801662 0.178000 0.801662 Mn\n0.000000 0.376338 0.198338 Mn\n0.198338 0.376338 0.000000 Mn\n0.376337 0.000000 0.198337 Mn\n0.178000 0.801663 0.801663 Mn\n0.376337 0.198338 0.000000 Mn\n0.606493 0.286959 0.606493 Mn\n0.286959 0.606494 0.606494 Mn\n0.822000 0.623663 0.623663 Mn\n0.606493 0.606494 0.286959 Mn\n0.000000 0.680466 0.393507 Mn\n0.319535 0.319535 0.713041 Mn\n0.319535 0.713042 0.319535 Mn\n0.000000 0.393507 0.680465 Mn\n0.680465 0.393507 0.000000 Mn\n0.393506 0.000000 0.680465 Mn\n0.713041 0.319535 0.319535 Mn\n0.393507 0.680466 0.000000 Mn\n0.376585 0.376586 0.376585 Mn\n0.000000 0.000000 0.623414 Mn\n0.000000 0.623415 0.000000 Mn\n0.623414 0.000000 -0.000000 Mn\n0.680465 0.000000 0.393506 Mn\n0.623663 0.822001 0.623663 Mn\n",
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{
"id": "jvasp-117169",
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"updated_at": "2022-09-04T14:38:51.207491Z",
"structure_string": "V4 Ag4 O4 F16\n1.0\n4.891765 -0.000000 0.000000\n0.000000 5.378297 0.927374\n-0.000000 -0.022475 13.754767\nV Ag O F\n4 4 4 16\ndirect\n0.014557 0.163409 0.139881 V\n0.514557 0.836592 0.360119 V\n-0.014557 0.836593 0.860119 V\n0.485444 0.163409 0.639881 V\n0.540882 0.669805 0.091109 Ag\n0.040882 0.330197 0.408890 Ag\n0.459119 0.330197 0.908890 Ag\n-0.040882 0.669805 0.591109 Ag\n0.298673 0.345838 0.560459 O\n0.798673 0.654164 0.939541 O\n0.701328 0.654163 0.439541 O\n0.201328 0.345838 0.060459 O\n0.732547 0.880197 0.250012 F\n0.232546 0.119804 0.249988 F\n0.793203 0.120883 0.567593 F\n0.293203 0.879119 0.932407 F\n0.206798 0.879119 0.432407 F\n0.706798 0.120882 0.067593 F\n0.681164 0.387781 0.696450 F\n0.617967 0.143823 0.380966 F\n0.318837 0.612221 0.303550 F\n0.818837 0.387780 0.196450 F\n0.382034 0.856178 0.619034 F\n0.882034 0.143824 0.880966 F\n0.767455 0.880197 0.750012 F\n0.117967 0.856178 0.119034 F\n0.181164 0.612221 0.803550 F\n0.267454 0.119805 0.749988 F\n",
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{
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"updated_at": "2022-09-04T14:38:45.837167Z",
"structure_string": "Ti1 Ag2 I6 O18\n1.0\n7.269098 -0.034866 -0.766995\n-0.848538 7.219487 -0.766995\n-0.031158 -0.034866 7.309384\nTi Ag I O\n1 2 6 18\ndirect\n0.000000 0.000000 0.000000 Ti\n0.682623 0.682622 0.682621 Ag\n0.317377 0.317377 0.317377 Ag\n0.380696 0.162211 0.779669 I\n0.779670 0.380696 0.162211 I\n0.162212 0.779670 0.380696 I\n0.619303 0.837788 0.220329 I\n0.220330 0.619303 0.837787 I\n0.837788 0.220329 0.619303 I\n0.567431 0.211538 0.129381 O\n0.810240 0.446469 0.416985 O\n0.583014 0.189759 0.553529 O\n0.553530 0.583014 0.189759 O\n0.189759 0.553530 0.583013 O\n0.129382 0.567431 0.211538 O\n0.211538 0.129382 0.567430 O\n0.870618 0.432568 0.788461 O\n0.187533 0.188548 0.935750 O\n0.432569 0.788462 0.870617 O\n0.188549 0.935751 0.187533 O\n0.446470 0.416986 0.810239 O\n0.935751 0.187533 0.188548 O\n0.811451 0.064248 0.812465 O\n0.812466 0.811451 0.064248 O\n0.064248 0.812466 0.811450 O\n0.788462 0.870618 0.432568 O\n0.416986 0.810240 0.446469 O\n",
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{
"id": "jvasp-117165",
"created_at": "2022-09-04T14:38:46.512230Z",
"updated_at": "2022-09-04T14:38:46.512256Z",
"structure_string": "Ba4 Dy8 Se16\n1.0\n4.197456 -0.000000 0.000000\n0.000000 12.798715 0.000000\n0.000000 -0.000000 15.166226\nBa Dy Se\n4 8 16\ndirect\n0.250000 0.759375 0.334941 Ba\n0.250000 0.259375 0.165059 Ba\n0.750001 0.240625 0.665059 Ba\n0.750001 0.740625 0.834941 Ba\n0.750001 0.079093 0.400336 Dy\n0.750001 0.579093 0.099664 Dy\n0.250000 0.420906 0.900336 Dy\n0.250000 0.920906 0.599664 Dy\n0.750001 0.564820 0.608348 Dy\n0.250000 0.935179 0.108348 Dy\n0.250000 0.435179 0.391653 Dy\n0.750001 0.064820 0.891653 Dy\n0.250000 0.523963 0.216903 Se\n0.250000 0.914606 0.922675 Se\n0.250000 0.414606 0.577325 Se\n0.750001 0.976036 0.716903 Se\n0.750001 0.476036 0.783097 Se\n0.250000 0.023964 0.283097 Se\n0.750001 0.373319 0.025136 Se\n0.250000 0.706609 0.662526 Se\n0.250000 0.626680 0.974864 Se\n0.250000 0.126680 0.525136 Se\n0.750001 0.293391 0.337474 Se\n0.750001 0.793391 0.162526 Se\n0.750001 0.585393 0.422675 Se\n0.250000 0.206609 0.837474 Se\n0.750001 0.873319 0.474864 Se\n0.750001 0.085394 0.077325 Se\n",
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"structure_string": "Y12 Te12 N4\n1.0\n11.954348 0.000000 0.000000\n-0.000000 7.664509 2.628457\n-0.000000 0.016849 8.653396\nY Te N\n12 12 4\ndirect\n0.022886 0.601986 0.138399 Y\n0.790333 0.766958 0.845567 Y\n0.290333 0.233042 0.654434 Y\n0.209668 0.233042 0.154434 Y\n0.087847 0.840488 0.704809 Y\n0.587847 0.159512 0.795192 Y\n0.709668 0.766958 0.345567 Y\n0.412153 0.840488 0.204809 Y\n0.477114 0.601986 0.638400 Y\n0.977114 0.398014 0.861601 Y\n0.522886 0.398014 0.361601 Y\n0.912153 0.159512 0.295192 Y\n0.234455 0.509032 0.812370 Te\n0.191553 0.953420 0.983278 Te\n0.691553 0.046580 0.516723 Te\n0.808447 0.046580 0.016722 Te\n0.308447 0.953420 0.483278 Te\n0.734455 0.490968 0.687631 Te\n0.480388 0.225921 0.085198 Te\n0.265545 0.509032 0.312370 Te\n0.519612 0.774079 0.914803 Te\n0.019612 0.225921 0.585198 Te\n0.980388 0.774079 0.414803 Te\n0.765546 0.490968 0.187630 Te\n0.464997 0.326042 0.623700 N\n0.535004 0.673958 0.376301 N\n0.035003 0.326042 0.123700 N\n0.964997 0.673958 0.876301 N\n",
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"structure_string": "Ga2 Ni21 B6\n1.0\n6.403972 -0.000000 3.697335\n2.134657 6.037723 3.697335\n0.000000 -0.000000 7.394670\nGa Ni B\n2 21 6\ndirect\n0.750000 0.750000 0.749999 Ga\n0.250000 0.250000 0.250000 Ga\n0.662897 0.000000 -0.000000 Ni\n0.000000 0.662897 -0.000000 Ni\n0.000000 0.000000 0.662897 Ni\n0.337103 0.000000 -0.000000 Ni\n0.337103 0.000000 0.662897 Ni\n0.337103 0.662897 -0.000001 Ni\n0.000000 0.337103 0.662897 Ni\n0.000000 0.337103 -0.000000 Ni\n0.000000 0.662897 0.337103 Ni\n0.662897 0.000000 0.337103 Ni\n0.662897 0.337103 -0.000001 Ni\n0.382160 0.382160 0.382160 Ni\n0.853520 0.382160 0.382160 Ni\n0.382161 0.853519 0.382160 Ni\n0.382160 0.382160 0.853519 Ni\n0.617840 0.617839 0.617839 Ni\n0.146480 0.617839 0.617839 Ni\n0.617840 0.146480 0.617839 Ni\n0.617840 0.617839 0.146479 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.337103 Ni\n0.726143 0.273857 0.726142 B\n0.726143 0.726143 0.273856 B\n0.273857 0.726143 0.273856 B\n0.726143 0.273857 0.273857 B\n0.273857 0.273857 0.726143 B\n0.273857 0.726143 0.726142 B\n",
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"formula_full": "Na2 V2 H4 I4 O18",
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{
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"formula_reduced": "MnTlOF4",
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}