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{
"id": "jvasp-119434",
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"structure_string": "Nb10 Si6 P2\n1.0\n7.812390 0.000000 0.000000\n-3.906194 6.765729 0.000000\n0.000000 0.000000 5.443845\nNb Si P\n10 6 2\ndirect\n0.666667 0.333333 -0.000000 Nb\n0.000000 0.734687 0.250000 Nb\n0.265313 0.265313 0.250000 Nb\n0.000000 0.265313 0.750001 Nb\n0.265313 -0.000000 0.750001 Nb\n0.734687 -0.000000 0.250000 Nb\n0.666667 0.333333 0.500000 Nb\n0.333334 0.666667 0.500000 Nb\n0.333334 0.666667 -0.000000 Nb\n0.734688 0.734687 0.750001 Nb\n0.399412 0.399412 0.750001 Si\n0.600588 -0.000000 0.750001 Si\n0.000000 0.600588 0.750001 Si\n0.600589 0.600588 0.250000 Si\n0.399412 -0.000000 0.250000 Si\n0.000000 0.399412 0.250000 Si\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n",
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{
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"structure_string": "Sr10 Pb6 F2\n1.0\n7.832722 -0.020163 -6.296613\n-1.810727 7.620578 -6.296613\n0.015976 0.020163 10.049807\nSr Pb F\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.311699 0.491340 0.500000 Sr\n0.811699 0.311699 0.820360 Sr\n0.491339 0.991340 0.179642 Sr\n0.688301 0.508661 0.500001 Sr\n0.991339 0.811699 0.500001 Sr\n0.188301 0.688302 0.179641 Sr\n0.508661 0.008660 0.820360 Sr\n0.000000 0.000000 0.000000 Sr\n0.008661 0.188301 0.500000 Sr\n0.250000 0.250000 0.000000 Pb\n0.750000 0.750001 0.000001 Pb\n0.871713 0.371713 0.243427 Pb\n0.128287 0.628287 0.756576 Pb\n0.371713 0.128287 0.500000 Pb\n0.628287 0.871713 0.500001 Pb\n0.250000 0.750000 0.500001 F\n0.750000 0.250000 0.500001 F\n",
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{
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"updated_at": "2022-09-04T14:38:07.586680Z",
"structure_string": "Mn6 O4 F8\n1.0\n5.618568 0.048593 -0.036348\n1.762571 5.445505 -0.001944\n2.059452 1.549032 6.839482\nMn O F\n6 4 8\ndirect\n0.704172 0.672796 0.838644 Mn\n0.308056 0.367807 0.684366 Mn\n0.691944 0.632192 0.315634 Mn\n0.295829 0.327202 0.161356 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.969206 0.331541 0.330121 O\n0.794140 0.760944 0.036644 O\n0.030795 0.668457 0.669879 O\n0.205860 0.239054 0.963356 O\n0.332216 0.708468 0.983829 F\n0.391186 0.938956 0.336645 F\n0.926585 0.878133 0.301424 F\n0.596022 0.571913 0.626705 F\n0.073416 0.121866 0.698576 F\n0.403979 0.428085 0.373295 F\n0.608814 0.061042 0.663355 F\n0.667784 0.291530 0.016171 F\n",
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{
"id": "jvasp-57803",
"created_at": "2022-09-04T14:38:04.095563Z",
"updated_at": "2022-09-04T14:38:04.095591Z",
"structure_string": "Pb2 Se4 O12\n1.0\n0.000000 4.865816 -0.161544\n8.849172 0.000000 0.000000\n0.000000 -2.246455 -6.682873\nPb Se O\n2 4 12\ndirect\n0.500001 0.500000 0.499999 Pb\n0.500000 0.000000 -0.000000 Pb\n0.113455 0.655361 0.818510 Se\n0.886546 0.344639 0.181488 Se\n0.113455 0.844638 0.318511 Se\n0.886547 0.155361 0.681488 Se\n0.854526 0.662797 0.587255 O\n0.769977 0.163121 0.210608 O\n0.769978 0.336879 0.710608 O\n0.382069 0.546281 0.773824 O\n0.617933 0.046281 0.726175 O\n0.230024 0.836878 0.789391 O\n0.230024 0.663121 0.289391 O\n0.145476 0.337203 0.412744 O\n0.145476 0.162797 0.912744 O\n0.382069 0.953719 0.273824 O\n0.617932 0.453719 0.226175 O\n0.854525 0.837203 0.087255 O\n",
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{
"id": "jvasp-46982",
"created_at": "2022-09-04T14:38:04.444432Z",
"updated_at": "2022-09-04T14:38:04.444452Z",
"structure_string": "Mn6 O1 F11\n1.0\n4.841970 -0.002810 -0.005241\n0.092033 5.850108 -0.005149\n0.126937 0.293474 8.153521\nMn O F\n6 1 11\ndirect\n0.515614 0.487727 0.992431 Mn\n0.497631 0.166520 0.336313 Mn\n0.502445 0.834126 0.667305 Mn\n0.013589 0.657944 0.325939 Mn\n0.978934 0.338290 0.683846 Mn\n0.982192 0.020800 0.996538 Mn\n0.796630 0.299601 0.897690 O\n0.186261 0.360111 0.449191 F\n0.299323 0.208878 0.105489 F\n0.302491 0.535655 0.765944 F\n0.310406 0.862044 0.431299 F\n0.809964 0.961954 0.234041 F\n0.691193 0.466270 0.231920 F\n0.700946 0.791533 0.900161 F\n0.197936 0.035020 0.766267 F\n0.806124 0.635043 0.561206 F\n0.698724 0.132978 0.565299 F\n0.209599 0.705504 0.089123 F\n",
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"spacegroup": 1
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{
"id": "jvasp-30233",
"created_at": "2022-09-04T14:38:07.876341Z",
"updated_at": "2022-09-04T14:38:07.876359Z",
"structure_string": "Mn2 C4 O12\n1.0\n4.216599 0.000000 4.303042\n0.000000 7.561963 0.000000\n-2.203642 0.000000 4.318680\nMn C O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.122724 0.271280 0.773863 C\n0.377277 0.771280 0.726136 C\n0.622724 0.228720 0.273863 C\n0.877276 0.728719 0.226136 C\n0.803161 0.579424 0.353125 O\n0.696839 0.079425 0.146874 O\n0.552386 0.356500 0.147100 O\n0.609714 0.260819 0.541138 O\n0.390287 0.739180 0.458861 O\n0.196839 0.420575 0.646874 O\n0.303161 0.920575 0.853125 O\n0.947614 0.856500 0.352900 O\n0.052386 0.143500 0.647100 O\n0.109714 0.239180 0.041139 O\n0.447615 0.643499 0.852900 O\n0.890287 0.760819 0.958860 O\n",
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"formula_full": "Mn2 C4 O12",
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"spacegroup": 14
},
{
"id": "jvasp-12297",
"created_at": "2022-09-04T14:38:12.174720Z",
"updated_at": "2022-09-04T14:38:12.174747Z",
"structure_string": "Ba2 Pr4 Cu2 O10\n1.0\n6.798619 -0.000000 -0.000000\n0.000000 6.798619 0.000000\n0.000000 0.000000 5.887822\nBa Pr Cu O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.327739 0.827739 0.500000 Pr\n0.827739 0.672261 0.500000 Pr\n0.172261 0.327739 0.500000 Pr\n0.672261 0.172261 0.500000 Pr\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.860870 0.360870 0.758765 O\n0.360870 0.139131 0.758765 O\n0.639131 0.860870 0.758765 O\n0.139131 0.639131 0.758765 O\n0.139131 0.639131 0.241234 O\n0.360870 0.139131 0.241234 O\n0.860870 0.360870 0.241234 O\n0.000000 0.000000 0.500000 O\n0.639131 0.860870 0.241234 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "jvasp-42913",
"created_at": "2022-09-04T14:38:07.184957Z",
"updated_at": "2022-09-04T14:38:07.184984Z",
"structure_string": "Co6 O2 F10\n1.0\n5.536239 -0.002975 -0.012860\n1.868053 5.260226 -0.013015\n2.305696 1.585843 6.802287\nCo O F\n6 2 10\ndirect\n0.499999 0.500001 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.873921 0.800576 0.162521 Co\n0.826854 0.816765 0.676580 Co\n0.173145 0.183236 0.323421 Co\n0.126079 0.199425 0.837480 Co\n0.164513 0.518981 0.159251 O\n0.835486 0.481020 0.840750 O\n0.072634 0.065397 0.134467 F\n0.391081 0.408865 0.800859 F\n0.743114 0.723887 0.464606 F\n0.927366 0.934604 0.865534 F\n0.199519 0.810491 0.496732 F\n0.608919 0.591136 0.199142 F\n0.559999 0.113846 0.166777 F\n0.800481 0.189509 0.503269 F\n0.256885 0.276114 0.535395 F\n0.440001 0.886155 0.833224 F\n",
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},
{
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"created_at": "2022-09-04T14:38:04.714671Z",
"updated_at": "2022-09-04T14:38:04.714696Z",
"structure_string": "Li4 Mn2 F12\n1.0\n0.000000 4.976863 0.026573\n5.174089 0.000000 0.000000\n0.000000 -5.009419 -7.377722\nLi Mn F\n4 2 12\ndirect\n0.492855 0.238450 0.495693 Li\n0.740469 0.310750 0.231702 Li\n0.492855 0.761550 -0.004307 Li\n0.740469 0.689250 0.731702 Li\n0.998423 0.242584 0.001091 Mn\n0.998423 0.757416 0.501091 Mn\n0.252555 0.570920 0.453397 F\n0.751000 0.069196 0.062043 F\n0.080027 0.062920 0.428586 F\n0.367684 0.801571 0.733954 F\n0.655358 0.689880 0.268936 F\n0.751000 0.930804 0.562043 F\n0.252555 0.429081 0.953397 F\n0.892885 0.531571 0.074015 F\n0.080026 0.937080 0.928585 F\n0.367684 0.198430 0.233954 F\n0.892885 0.468430 0.574015 F\n0.655358 0.310121 0.768936 F\n",
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{
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"created_at": "2022-09-04T14:38:06.788939Z",
"updated_at": "2022-09-04T14:38:06.788956Z",
"structure_string": "Fe6 O10 F2\n1.0\n-4.457795 4.457795 2.860022\n-0.085982 4.377508 -2.865395\n-4.377508 0.085982 -2.865395\nFe O F\n6 10 2\ndirect\n0.848514 0.675166 0.675166 Fe\n0.664003 0.326605 0.326605 Fe\n0.321122 0.654714 0.654714 Fe\n0.161802 0.331325 0.331325 Fe\n0.509714 0.005980 0.005980 Fe\n0.990670 0.003870 0.003870 Fe\n-0.000896 0.699141 0.305852 O\n-0.000896 0.305852 0.699141 O\n0.669235 0.640112 0.030244 O\n0.332954 0.966165 0.362327 O\n0.702410 0.102877 0.102877 O\n0.960416 0.232318 0.232318 O\n0.038085 0.770382 0.770382 O\n0.332954 0.362327 0.966165 O\n0.669235 0.030244 0.640112 O\n0.367961 0.429292 0.429292 O\n0.300844 0.897333 0.897333 F\n0.631856 0.566306 0.566306 F\n",
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},
{
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"created_at": "2022-09-04T14:38:12.805750Z",
"updated_at": "2022-09-04T14:38:12.805783Z",
"structure_string": "Sr2 H8 Cl4 O4\n1.0\n5.712369 3.200961 -1.671677\n-5.712369 3.200961 1.671677\n-0.141990 0.000000 6.632265\nSr H Cl O\n2 8 4 4\ndirect\n0.736960 0.736960 0.750001 Sr\n0.263040 0.263040 0.250000 Sr\n0.742692 0.360405 0.571435 H\n0.257308 0.639595 0.428566 H\n0.639595 0.257308 0.071434 H\n0.360405 0.742692 0.928566 H\n0.576063 0.819269 0.116626 H\n0.180730 0.423937 0.616627 H\n0.423937 0.180730 0.883375 H\n0.819269 0.576063 0.383374 H\n0.054267 0.763199 0.163505 Cl\n0.763199 0.054267 0.336496 Cl\n0.945733 0.236800 0.836496 Cl\n0.236800 0.945733 0.663505 Cl\n0.472669 0.693748 0.021563 O\n0.527330 0.306252 0.978438 O\n0.306252 0.527330 0.521563 O\n0.693748 0.472669 0.478438 O\n",
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{
"id": "jvasp-29648",
"created_at": "2022-09-04T14:38:12.912373Z",
"updated_at": "2022-09-04T14:38:12.912407Z",
"structure_string": "Cd6 I12\n1.0\n4.286538 0.000000 -0.000000\n-2.143269 3.712251 -0.000000\n-0.000000 0.000000 41.267601\nCd I\n6 12\ndirect\n0.333333 0.666667 0.874962 Cd\n0.333333 0.666667 0.708356 Cd\n0.666667 0.333333 0.041678 Cd\n0.333333 0.666667 0.374968 Cd\n0.333333 0.666667 0.541665 Cd\n0.666667 0.333333 0.208308 Cd\n-0.000000 -0.000000 0.832946 I\n0.666667 0.333333 0.750363 I\n0.666667 0.333333 0.583679 I\n0.000000 0.000000 -0.000359 I\n0.666667 0.333333 0.416971 I\n-0.000000 -0.000000 0.666335 I\n-0.000000 -0.000000 0.332935 I\n0.333333 0.666667 0.250312 I\n-0.000000 -0.000000 0.166289 I\n0.333333 0.666667 0.083678 I\n0.666667 0.333333 0.916969 I\n-0.000000 -0.000000 0.499645 I\n",
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}
]
}