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{
"id": "jvasp-9263",
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"structure_string": "Ba2 Y1 Ti2 Tl1 O7\n1.0\n3.946873 0.000000 0.000000\n0.000000 3.946873 -0.000000\n0.000000 0.000000 13.107449\nBa Y Ti Tl O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.806837 Ba\n0.500000 0.500000 0.193196 Ba\n0.500000 0.500000 0.499995 Y\n0.000000 0.000000 0.633211 Ti\n0.000000 0.000000 0.366778 Ti\n0.000000 0.000000 0.000017 Tl\n0.000000 0.000000 0.777305 O\n0.500000 0.000000 0.610426 O\n0.000000 0.500000 0.610426 O\n0.000000 0.500000 0.389553 O\n0.500000 0.500000 0.000018 O\n0.500000 0.000000 0.389553 O\n0.000000 0.000000 0.222682 O\n",
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{
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{
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"structure_string": "P2 Pd3 S8\n1.0\n3.458416 -5.990152 -0.000000\n3.458416 5.990152 -0.000000\n0.000000 -0.000000 7.335417\nP Pd S\n2 3 8\ndirect\n0.666667 0.333334 0.334145 P\n0.333334 0.666667 0.665855 P\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500001 0.500001 0.000000 Pd\n0.179170 0.358340 0.813098 S\n0.333334 0.666667 0.404176 S\n0.666667 0.333334 0.595825 S\n0.820831 0.641662 0.186903 S\n0.820831 0.179170 0.186903 S\n0.358340 0.179170 0.186903 S\n0.641662 0.820831 0.813098 S\n0.179170 0.820831 0.813098 S\n",
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{
"id": "jvasp-112709",
"created_at": "2022-09-04T14:38:42.492501Z",
"updated_at": "2022-09-04T14:38:42.492519Z",
"structure_string": "Ba2 Sr1 P2 O8\n1.0\n5.182405 -0.006301 5.635484\n2.193079 4.695504 5.635484\n-0.009911 -0.006301 7.656102\nBa Sr P O\n2 1 2 8\ndirect\n0.206747 0.206747 0.206747 Ba\n0.793252 0.793252 0.793252 Ba\n0.000000 0.000000 0.000000 Sr\n0.403578 0.403578 0.403578 P\n0.596421 0.596421 0.596421 P\n0.276295 0.734287 0.276294 O\n0.276295 0.276295 0.734287 O\n0.734287 0.276295 0.276294 O\n0.723705 0.265713 0.723705 O\n0.723705 0.723705 0.265712 O\n0.265713 0.723705 0.723705 O\n0.329850 0.329850 0.329850 O\n0.670149 0.670150 0.670149 O\n",
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{
"id": "jvasp-112168",
"created_at": "2022-09-04T14:38:43.429035Z",
"updated_at": "2022-09-04T14:38:43.429067Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.676745 -0.134560 0.013331\n-0.826828 4.368357 -1.484192\n0.474636 -0.098655 7.573698\nCd H C O\n1 4 4 4\ndirect\n0.250570 0.744028 0.726473 Cd\n0.996450 0.033788 0.252633 H\n0.541338 0.904068 0.165660 H\n-0.040358 0.583985 0.287270 H\n0.504551 0.454255 0.200268 H\n0.588301 0.160611 0.458452 C\n0.728243 0.104294 0.258910 C\n0.772761 0.383756 0.194004 C\n0.912758 0.327486 0.994475 C\n0.372830 0.934758 0.490514 O\n0.685645 0.430661 0.583111 O\n0.815493 0.057462 0.869783 O\n0.128205 0.553392 0.962456 O\n",
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{
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"created_at": "2022-09-04T14:38:45.247164Z",
"updated_at": "2022-09-04T14:38:45.247203Z",
"structure_string": "V2 Pb3 O8\n1.0\n5.321087 0.020834 5.309327\n2.216027 4.837729 5.309327\n0.032319 0.020834 7.516773\nV Pb O\n2 3 8\ndirect\n0.595065 0.595063 0.595064 V\n0.404937 0.404936 0.404936 V\n0.798976 0.798973 0.798974 Pb\n0.201026 0.201025 0.201026 Pb\n0.000000 0.000000 0.000000 Pb\n0.679401 0.679398 0.679399 O\n0.320601 0.320600 0.320601 O\n0.731892 0.731890 0.235728 O\n0.235729 0.731890 0.731891 O\n0.731892 0.235727 0.731891 O\n0.764273 0.268108 0.268109 O\n0.268110 0.268108 0.764272 O\n0.268110 0.764272 0.268109 O\n",
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{
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"created_at": "2022-09-04T14:38:45.038964Z",
"updated_at": "2022-09-04T14:38:45.038991Z",
"structure_string": "Al5 O8\n1.0\n4.877100 -0.000000 2.815795\n1.625700 4.598174 2.815795\n-0.000000 -0.000000 5.631590\nAl O\n5 8\ndirect\n0.616402 0.127866 0.127866 Al\n0.127866 0.616401 0.127867 Al\n0.127866 0.127866 0.616402 Al\n0.127866 0.127866 0.127866 Al\n0.750000 0.749999 0.750002 Al\n0.350520 0.883159 0.883161 O\n0.883160 0.350519 0.883161 O\n0.883160 0.883159 0.350522 O\n0.883160 0.883159 0.883162 O\n0.914026 0.361991 0.361992 O\n0.361991 0.914025 0.361992 O\n0.361991 0.361991 0.914026 O\n0.361991 0.361991 0.361992 O\n",
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{
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"created_at": "2022-09-04T14:38:47.901357Z",
"updated_at": "2022-09-04T14:38:47.901390Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n4.887867 -0.039003 0.124586\n-0.237601 4.882242 -0.124603\n0.042998 -0.041261 7.080957\nLi Mn P O\n1 2 2 8\ndirect\n0.493742 0.493741 0.000001 Li\n0.961384 0.961381 -0.000001 Mn\n0.549840 0.549842 0.500003 Mn\n0.479833 0.016245 0.250475 P\n0.016245 0.479832 0.749526 P\n0.562695 0.710760 0.239378 O\n0.638524 0.152633 0.076566 O\n0.147219 0.570644 0.561375 O\n0.171691 0.044797 0.222553 O\n0.044795 0.171687 0.777447 O\n0.570641 0.147219 0.438625 O\n0.152636 0.638523 0.923436 O\n0.710758 0.562697 0.760626 O\n",
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{
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"created_at": "2022-09-04T14:38:48.162258Z",
"updated_at": "2022-09-04T14:38:48.162297Z",
"structure_string": "Lu1 Al8 Cu4\n1.0\n6.639245 0.018483 -0.967702\n-4.963721 4.409240 -0.967702\n-0.006994 -0.018483 6.709395\nLu Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.346814 0.346813 Al\n0.000001 0.653187 0.653187 Al\n0.653188 -0.000000 0.653187 Al\n0.346814 -0.000000 0.346813 Al\n0.500001 0.282516 0.782516 Al\n0.500000 0.717484 0.217484 Al\n0.717485 0.500000 0.217484 Al\n0.282517 0.500000 0.782516 Al\n0.000001 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Cu\n0.500000 -0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
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{
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"created_at": "2022-09-04T14:38:44.972930Z",
"updated_at": "2022-09-04T14:38:44.972946Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.790880 0.006821 0.048840\n0.377659 4.247213 0.730990\n0.106246 0.423089 7.854640\nCd H C O\n1 4 4 4\ndirect\n0.385836 0.655452 0.249412 Cd\n0.659404 0.074571 0.670334 H\n0.099819 -0.000305 0.741005 H\n0.585448 0.547308 0.816076 H\n0.031383 0.472970 0.881737 H\n0.013790 0.404695 0.538432 C\n0.885401 0.190549 0.702988 C\n0.800884 0.359314 0.852371 C\n0.700127 0.132463 0.018013 C\n0.919456 0.359925 0.389733 O\n0.231593 0.607489 0.546271 O\n0.849930 0.848513 0.055602 O\n0.449635 0.214440 0.116310 O\n",
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"updated_at": "2022-09-04T14:38:43.856203Z",
"structure_string": "Al5 S8\n1.0\n6.070602 -0.000000 3.504863\n2.023534 5.723418 3.504863\n-0.000000 -0.000000 7.009727\nAl S\n5 8\ndirect\n0.633242 0.633243 0.100272 Al\n0.633242 0.100273 0.633242 Al\n0.100272 0.633243 0.633243 Al\n0.633242 0.633243 0.633242 Al\n0.250000 0.250000 0.250000 Al\n0.871786 0.871787 0.384638 S\n0.871786 0.384639 0.871787 S\n0.384638 0.871787 0.871787 S\n0.871786 0.871787 0.871787 S\n0.383488 0.383488 0.849536 S\n0.383487 0.849536 0.383488 S\n0.849536 0.383488 0.383488 S\n0.383488 0.383488 0.383488 S\n",
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{
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"created_at": "2022-09-04T14:38:43.470790Z",
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"structure_string": "Zn1 H4 C4 O4\n1.0\n3.655771 0.012256 0.923682\n1.620899 4.379400 1.508543\n0.272437 0.300965 7.449339\nZn H C O\n1 4 4 4\ndirect\n0.812186 0.842545 0.289317 Zn\n0.615845 -0.004359 0.847285 H\n-0.003485 0.146592 0.774280 H\n0.132077 0.556454 0.773149 H\n0.520042 0.683148 0.738804 H\n0.712566 0.221758 0.543323 C\n0.696075 0.198962 0.754027 C\n0.419083 0.485304 0.816389 C\n0.333508 0.455104 0.032522 C\n0.821728 0.958992 0.509362 O\n0.619375 0.478955 0.415337 O\n0.186292 0.716082 0.071990 O\n0.382388 0.194527 0.158902 O\n",
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]
}