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{
"id": "jvasp-8203",
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"structure_string": "Sr2 Zn1 Cu2 S2 O2\n1.0\n3.933326 -0.000000 -0.867737\n-0.191433 3.928664 -0.867737\n-0.004211 -0.004420 9.329369\nSr Zn Cu S O\n2 1 2 2 2\ndirect\n0.592247 0.592245 0.184491 Sr\n0.407755 0.407754 0.815509 Sr\n0.000000 0.000000 0.000000 Zn\n0.750001 0.250000 0.500000 Cu\n0.250001 0.749999 0.500000 Cu\n0.827658 0.827656 0.655313 S\n0.172344 0.172343 0.344686 S\n0.500001 -0.000000 -0.000000 O\n0.000000 0.499999 -0.000000 O\n",
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{
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"structure_string": "Li1 Sb1 Te2 W1 O12\n1.0\n5.084708 0.003518 0.001537\n-0.004477 5.332048 -0.048297\n-0.021744 -0.457611 7.357129\nLi Sb Te W O\n1 1 2 1 12\ndirect\n0.998716 0.578382 0.715288 Li\n0.499301 0.500071 0.491329 Sb\n0.503904 0.507095 -0.000941 Te\n0.000447 0.003702 0.496480 Te\n0.001711 0.012926 0.004065 W\n0.694572 0.193485 0.940042 O\n0.821232 0.314707 0.569521 O\n0.193329 0.310945 0.058447 O\n0.637448 0.505743 0.241295 O\n0.364408 0.496926 0.753068 O\n0.166121 0.679261 0.443874 O\n0.875381 0.005828 0.246634 O\n0.303087 0.811583 0.057746 O\n0.112019 -0.009880 0.752415 O\n0.316804 0.173300 0.431374 O\n0.812186 0.690332 0.933859 O\n0.699338 0.811201 0.572704 O\n",
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{
"id": "jvasp-21446",
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"structure_string": "K1 Be2 B1 O3 F2\n1.0\n4.152399 -0.037930 5.170293\n1.792569 3.745738 5.170293\n-0.060816 -0.037930 6.631037\nK Be B O F\n1 2 1 3 2\ndirect\n0.000000 0.000000 0.000000 K\n0.197983 0.197983 0.197983 Be\n0.802016 0.802017 0.802017 Be\n0.500000 0.500000 0.500000 B\n0.499999 0.191125 0.808875 O\n0.808875 0.500000 0.191125 O\n0.191125 0.808875 0.500000 O\n0.281988 0.281989 0.281988 F\n0.718011 0.718012 0.718011 F\n",
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{
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"updated_at": "2022-09-04T14:38:34.071471Z",
"structure_string": "Cu1 Sn1 H12 N2 O6\n1.0\n5.567287 -0.100710 -0.305605\n-2.121123 6.433978 -0.231771\n0.036843 -0.005768 4.839188\nCu Sn H N O\n1 1 12 2 6\ndirect\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Sn\n0.666274 0.592465 0.717191 H\n0.333726 0.407535 0.282810 H\n0.703855 0.381889 0.555941 H\n0.522671 0.353729 0.821901 H\n0.477330 0.646271 0.178101 H\n0.296146 0.618111 0.444061 H\n0.704503 0.942217 0.573449 H\n0.645197 0.118990 0.236136 H\n0.354803 0.881010 0.763866 H\n0.007999 0.245732 0.603441 H\n0.992002 0.754268 0.396561 H\n0.295497 0.057783 0.426553 H\n0.688770 0.448067 0.746137 N\n0.311231 0.551934 0.253865 N\n0.665347 0.875616 0.753101 O\n0.898310 0.716840 0.210335 O\n0.101690 0.283160 0.789667 O\n0.823914 0.129215 0.294373 O\n0.176087 0.870785 0.705629 O\n0.334654 0.124384 0.246900 O\n",
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{
"id": "jvasp-9465",
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"structure_string": "Ba2 Y1 Tl1 Fe2 O7\n1.0\n3.908135 0.000000 0.000000\n0.000000 3.908135 -0.000000\n-0.000000 0.000000 13.025072\nBa Y Tl Fe O\n2 1 1 2 7\ndirect\n0.500001 0.500001 0.201105 Ba\n0.500001 0.500001 0.798837 Ba\n0.500001 0.500001 0.500008 Y\n0.000000 0.000000 -0.000045 Tl\n0.000000 0.000000 0.361062 Fe\n0.000000 0.000000 0.638959 Fe\n0.000000 0.000000 0.215650 O\n0.500001 0.000000 0.391940 O\n0.000000 0.500001 0.391940 O\n0.000000 0.500001 0.608108 O\n0.500001 0.500001 -0.000029 O\n0.500001 0.000000 0.608108 O\n0.000000 0.000000 0.784381 O\n",
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{
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"created_at": "2022-09-04T14:38:35.359496Z",
"updated_at": "2022-09-04T14:38:35.359528Z",
"structure_string": "Ti2 Al2 Cr1 Cu1 S8\n1.0\n6.061794 0.000416 3.492797\n-4.058256 5.920420 0.000000\n-0.000000 0.000000 6.985593\nTi Al Cr Cu S\n2 2 1 1 8\ndirect\n0.024464 0.006740 0.464397 Ti\n0.024464 0.006740 0.011138 Ti\n0.237243 0.608703 0.631378 Al\n0.494979 0.497241 0.002511 Al\n0.474701 0.002863 0.012650 Cr\n0.749703 0.376445 0.375149 Cu\n0.006648 0.754093 0.246676 S\n0.013373 0.249507 0.243314 S\n0.498071 0.252516 0.768812 S\n0.498071 0.252516 0.233116 S\n0.973972 0.221735 0.763014 S\n0.987270 0.756085 0.756365 S\n0.508518 0.757410 0.229417 S\n0.508518 0.757410 0.762065 S\n",
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{
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"created_at": "2022-09-04T14:38:32.322548Z",
"updated_at": "2022-09-04T14:38:32.322569Z",
"structure_string": "Sr2 Y1 Tl1 Fe2 O7\n1.0\n3.825638 0.000000 -0.000000\n0.000000 3.825638 -0.000000\n0.000000 -0.000000 12.547794\nSr Y Tl Fe O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.198548 Sr\n0.500000 0.500000 0.801414 Sr\n0.500000 0.500000 0.500004 Y\n0.000000 0.000000 0.999982 Tl\n0.000000 0.000000 0.359161 Fe\n0.000000 0.000000 0.640845 Fe\n0.000000 0.500000 0.385770 O\n0.500000 0.000000 0.385770 O\n0.000000 0.500000 0.614258 O\n0.500000 0.000000 0.614258 O\n0.000000 0.000000 0.205476 O\n0.000000 0.000000 0.794533 O\n0.500000 0.500000 0.999983 O\n",
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{
"id": "jvasp-57323",
"created_at": "2022-09-04T14:38:14.958350Z",
"updated_at": "2022-09-04T14:38:14.958377Z",
"structure_string": "Sr6 Li2 Cr2 N8 O1\n1.0\n6.162044 -0.003735 -0.005010\n2.331941 6.444382 -0.006377\n1.935512 0.363379 7.249626\nSr Li Cr N O\n6 2 2 8 1\ndirect\n0.199937 0.379369 0.300727 Sr\n0.293589 0.864710 0.071715 Sr\n0.700962 0.188691 0.464813 Sr\n0.299037 0.811308 0.535187 Sr\n0.706410 0.135289 0.928285 Sr\n0.800063 0.620630 0.699273 Sr\n0.226794 0.509965 0.908218 Li\n0.773206 0.490034 0.091782 Li\n0.212517 0.212877 0.750389 Cr\n0.787482 0.787122 0.249611 Cr\n0.014036 0.181167 0.634115 N\n0.532808 0.010096 0.264874 N\n0.985963 0.818832 0.365885 N\n0.713067 0.568446 0.356406 N\n0.923104 0.743807 0.016813 N\n0.286932 0.431553 0.643594 N\n0.467191 0.989903 0.735126 N\n0.076895 0.256192 0.983187 N\n0.500000 0.499999 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:32.326319Z",
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"structure_string": "Li4 Nb3 Ni3 Te2 O16\n1.0\n6.075136 -0.078873 0.076096\n3.118806 5.214072 0.076096\n0.033874 0.018920 10.380062\nLi Nb Ni Te O\n4 3 3 2 16\ndirect\n0.665224 0.665223 0.901021 Li\n0.994103 0.994102 0.981743 Li\n0.994009 0.994008 0.501056 Li\n0.335393 0.335393 0.406413 Li\n0.843018 0.343983 0.219495 Nb\n0.343983 0.843017 0.219495 Nb\n0.181447 0.181447 0.731257 Nb\n0.657116 0.167750 0.715721 Ni\n0.167750 0.657116 0.715721 Ni\n0.828936 0.828935 0.210720 Ni\n0.670693 0.670692 0.518506 Te\n0.359965 0.359965 0.991649 Te\n0.144343 0.144343 0.100970 O\n0.685292 0.180040 0.088949 O\n0.324174 0.324174 0.602360 O\n0.013455 0.481729 0.835510 O\n0.481729 0.013456 0.835510 O\n0.834161 0.834160 0.603595 O\n0.482423 0.995506 0.323164 O\n0.507602 0.507602 0.321851 O\n0.331307 0.835798 0.603487 O\n0.002975 0.002975 0.800511 O\n0.994437 0.994436 0.314434 O\n0.661926 0.661925 0.101653 O\n0.484096 0.484096 0.847141 O\n0.835798 0.331307 0.603487 O\n0.995507 0.482422 0.323164 O\n0.180041 0.685291 0.088949 O\n",
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"formula_full": "Li4 Nb3 Ni3 Te2 O16",
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{
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"created_at": "2022-09-04T14:38:29.278986Z",
"updated_at": "2022-09-04T14:38:29.279011Z",
"structure_string": "Li6 Cr2 Si2 B2 O14\n1.0\n0.000000 5.054238 0.047184\n6.243640 0.000000 0.000000\n0.000000 -0.782266 -8.237056\nLi Cr Si B O\n6 2 2 2 14\ndirect\n0.234594 0.750000 0.102463 Li\n0.740214 0.002810 0.246457 Li\n0.740214 0.497190 0.246457 Li\n0.259786 0.502810 0.753544 Li\n0.259786 0.997190 0.753544 Li\n0.765406 0.250000 0.897538 Li\n0.202429 0.250000 0.314326 Cr\n0.797571 0.750000 0.685675 Cr\n0.727209 0.250000 0.572587 Si\n0.272791 0.750000 0.427414 Si\n0.295584 0.250000 0.034770 B\n0.704416 0.750000 0.965231 B\n0.516573 0.750000 0.826456 O\n0.817737 0.051131 0.697160 O\n0.817737 0.448869 0.697160 O\n0.403438 0.250000 0.522474 O\n0.128651 0.750000 0.594056 O\n0.871349 0.250000 0.405945 O\n0.631705 0.750000 0.117142 O\n0.182263 0.551131 0.302841 O\n0.182263 0.948869 0.302841 O\n0.483426 0.250000 0.173545 O\n0.037481 0.250000 0.081352 O\n0.962519 0.750000 0.918649 O\n0.596561 0.750000 0.477527 O\n0.368295 0.250000 0.882859 O\n",
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{
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"created_at": "2022-09-04T14:38:31.388535Z",
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"structure_string": "Li4 Fe3 Co3 Sn2 O16\n1.0\n5.753485 0.030634 -0.026297\n2.875918 4.983185 -0.023979\n0.056587 0.028446 9.519408\nLi Fe Co Sn O\n4 3 3 2 16\ndirect\n0.668379 0.668359 0.103627 Li\n0.000196 0.000178 0.005166 Li\n0.000424 0.000402 0.504487 Li\n0.335129 0.335106 0.607866 Li\n0.830707 0.830685 0.785154 Fe\n0.655399 0.175059 0.285250 Fe\n0.175078 0.655380 0.285250 Fe\n0.339088 0.831500 0.784725 Co\n0.168327 0.168307 0.285126 Co\n0.831521 0.339066 0.784725 Co\n0.666602 0.666581 0.507986 Sn\n0.331404 0.331382 0.004907 Sn\n0.154740 0.154717 0.897747 O\n0.687628 0.154148 0.894594 O\n0.331139 0.331119 0.391923 O\n0.032370 0.485750 0.169426 O\n0.485765 0.032351 0.169428 O\n0.843802 0.843785 0.394673 O\n0.515860 0.971134 0.668956 O\n0.516597 0.516575 0.668936 O\n0.313246 0.839536 0.395290 O\n-0.001749 -0.001767 0.193221 O\n0.999263 -0.000760 0.691839 O\n0.668273 0.668252 0.888512 O\n0.486221 0.486199 0.164503 O\n0.839561 0.313222 0.395290 O\n0.971156 0.515837 0.668955 O\n0.154167 0.687612 0.894593 O\n",
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{
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"structure_string": "H5 Pb1 C1 I3 N2\n1.0\n6.486825 0.000000 -0.000000\n0.000001 6.309788 -0.000000\n-0.000000 0.000000 6.405316\nH Pb C I N\n5 1 1 3 2\ndirect\n0.500000 0.702262 0.500000 H\n0.809197 0.525307 0.500000 H\n0.697727 0.272228 0.500000 H\n0.302274 0.272228 0.500000 H\n0.190804 0.525307 0.500000 H\n-0.000000 0.945495 0.000000 Pb\n0.500001 0.528902 0.500000 C\n0.500000 0.958708 0.000000 I\n-0.000000 0.444545 0.000000 I\n-0.000000 0.926676 0.500000 I\n0.679569 0.433430 0.500000 N\n0.320430 0.433430 0.500000 N\n",
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]
}