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{
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{
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"updated_at": "2022-09-04T14:38:46.035220Z",
"structure_string": "Li4 Mn2 V6 O16\n1.0\n5.030797 -0.028690 -2.874912\n-3.318999 9.521115 -0.060554\n-0.026101 0.028898 5.794263\nLi Mn V O\n4 2 6 16\ndirect\n0.122106 0.183137 0.061046 Li\n0.130653 0.695951 0.565298 Li\n0.877896 0.316867 0.438955 Li\n0.869357 0.804055 0.934708 Li\n0.499998 0.250001 0.749998 Mn\n0.499994 0.749990 0.249997 Mn\n-0.012944 -0.002161 0.493547 V\n0.012945 0.502163 0.006452 V\n0.504271 -0.002152 0.493591 V\n0.504289 -0.002160 0.010763 V\n0.495712 0.502162 0.489237 V\n0.495729 0.502155 0.006411 V\n0.262465 0.625014 0.899828 O\n0.737787 0.381792 0.644007 O\n0.737589 0.875008 0.137408 O\n0.737777 0.381784 0.093752 O\n0.737527 0.874983 0.600161 O\n0.262220 0.118214 0.406246 O\n0.262210 0.118206 0.855993 O\n0.264010 0.896079 0.632054 O\n0.711983 0.118214 0.856001 O\n0.725173 0.625014 0.362549 O\n0.735991 0.603924 0.867948 O\n0.744235 0.116378 0.372132 O\n0.274845 0.874983 0.137461 O\n0.255766 0.383625 0.127869 O\n0.262403 0.624989 0.362597 O\n0.288018 0.381785 0.644000 O\n",
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{
"id": "jvasp-109729",
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"updated_at": "2022-09-04T14:38:45.201578Z",
"structure_string": "La2 Cr1 Mo1 O6\n1.0\n4.820193 -0.000018 2.751034\n-1.570115 4.557220 2.751100\n0.014401 0.020253 5.573178\nLa Cr Mo O\n2 1 1 6\ndirect\n0.250004 0.749997 0.499998 La\n0.749996 0.250002 0.500002 La\n-0.000000 -0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Mo\n0.754361 0.754348 0.491282 O\n0.245639 0.245651 0.508718 O\n0.300042 0.190197 -0.000006 O\n0.699959 0.809802 0.000005 O\n0.809805 0.300039 0.000005 O\n0.190195 0.699961 -0.000006 O\n",
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{
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"created_at": "2022-09-04T14:38:46.017553Z",
"updated_at": "2022-09-04T14:38:46.017580Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.817048 0.000142 2.476994\n-2.414046 5.568852 1.469493\n-0.011345 0.000543 5.417085\nLi Fe P O\n2 2 2 8\ndirect\n0.437095 0.249976 0.436971 Li\n0.187095 0.750021 0.186933 Li\n0.808247 0.249994 0.808198 Fe\n0.558253 0.750004 0.558195 Fe\n0.129492 0.250010 0.129512 P\n0.879488 0.749988 0.879526 P\n0.797735 0.090977 0.245908 O\n0.322551 0.103675 0.133980 O\n0.737769 0.603720 0.218889 O\n0.836728 0.590899 0.706931 O\n0.134052 0.396292 0.322587 O\n0.245822 0.409085 0.797819 O\n0.706788 0.909039 0.836874 O\n0.218886 0.896309 0.737666 O\n",
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{
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"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n4.824914 -0.004284 -1.459685\n-0.877193 4.964589 -0.003473\n-0.009044 0.005256 5.833576\nLi Cr Ni O\n4 3 1 8\ndirect\n0.496462 0.747731 0.871233 Li\n0.503539 0.252271 0.128769 Li\n0.501733 0.742112 0.378578 Li\n0.498268 0.257890 0.621424 Li\n0.000000 0.500000 0.000000 Cr\n0.000481 -0.000313 0.253175 Cr\n-0.000480 0.000314 0.746826 Cr\n0.000001 0.500000 0.500001 Ni\n0.223917 0.869873 0.055571 O\n0.776084 0.130129 0.944431 O\n0.229764 0.365217 0.297191 O\n0.773253 0.635859 0.182447 O\n0.230463 0.888304 0.558607 O\n0.769538 0.111698 0.441395 O\n0.226748 0.364142 0.817555 O\n0.770237 0.634784 0.702811 O\n",
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{
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"updated_at": "2022-09-04T14:38:42.708643Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.400509 0.021239 0.531141\n2.052486 4.374434 0.467124\n0.127107 0.108510 7.429993\nZn H C O\n1 6 5 4\ndirect\n0.024048 -0.001278 0.258615 Zn\n0.576095 0.283490 0.577711 H\n0.872132 0.262060 0.718364 H\n0.208417 0.820083 0.650335 H\n0.007398 0.730738 0.953392 H\n0.510631 0.833761 0.776406 H\n0.231820 0.350889 0.879423 H\n0.872753 0.522237 0.470165 C\n0.682623 0.422420 0.629134 C\n0.409647 0.680957 0.737163 C\n0.257012 0.555887 0.909217 C\n0.485491 0.471677 0.059647 C\n0.082780 0.325537 0.361162 O\n0.825267 0.802370 0.456284 O\n0.454192 0.671815 0.166970 O\n0.723003 0.199892 0.063968 O\n",
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{
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"created_at": "2022-09-04T14:38:48.306735Z",
"updated_at": "2022-09-04T14:38:48.306768Z",
"structure_string": "Li2 Mn4 Ni2 O12\n1.0\n4.944299 0.006243 -0.400146\n-2.513527 4.257628 0.400535\n-0.180573 0.102841 10.060659\nLi Mn Ni O\n2 4 2 12\ndirect\n0.354182 0.854278 0.249992 Li\n0.645818 0.145722 0.750007 Li\n0.166355 0.834264 0.504826 Mn\n0.334264 0.666356 0.995180 Mn\n0.665735 0.333643 0.004819 Mn\n0.833644 0.165735 0.495173 Mn\n0.499999 0.500000 0.500000 Ni\n0.000002 -0.000000 0.000000 Ni\n0.179169 0.158243 0.597087 O\n0.658268 0.679208 0.902911 O\n0.980346 0.341727 0.901351 O\n0.019654 0.658273 0.098647 O\n0.820830 0.841756 0.402912 O\n0.653764 0.981315 0.103298 O\n0.841702 0.480311 0.598648 O\n0.346236 0.018685 0.896700 O\n0.341731 0.320791 0.097086 O\n0.518662 0.846196 0.603295 O\n0.481337 0.153803 0.396704 O\n0.158298 0.519688 0.401351 O\n",
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{
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"structure_string": "Zn1 H6 C5 O4\n1.0\n3.881351 -0.259415 -0.341115\n-1.454358 4.502232 -0.145239\n-0.389294 0.039697 8.247701\nZn H C O\n1 6 5 4\ndirect\n0.009482 0.764176 0.244531 Zn\n-0.001038 0.383227 0.630458 H\n0.548627 0.369099 0.553514 H\n0.704502 0.930158 0.799726 H\n0.908149 0.470684 0.919117 H\n0.260954 0.933952 0.723824 H\n0.470527 0.474993 0.846657 H\n0.667786 0.007738 0.462119 C\n0.706417 0.229214 0.602669 C\n0.556702 0.078675 0.755052 C\n0.613618 0.321297 0.889958 C\n0.472937 0.212133 0.048545 C\n0.923812 0.081203 0.372563 O\n0.379505 0.760364 0.435793 O\n0.243916 0.937544 0.049361 O\n0.569325 0.397049 0.174787 O\n",
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{
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"updated_at": "2022-09-04T14:38:34.391242Z",
"structure_string": "Ba4 Y2 Cu6 O13\n1.0\n12.201174 -0.016609 2.802072\n10.976355 5.336028 2.690034\n-0.003438 0.015026 5.492106\nBa Y Cu O\n4 2 6 13\ndirect\n0.162742 0.645754 0.837258 Ba\n0.645752 0.162742 0.354247 Ba\n0.837258 0.354247 0.162742 Ba\n0.354247 0.837258 0.645752 Ba\n0.000000 0.500000 -0.000000 Y\n0.499999 0.000000 0.500000 Y\n0.743372 0.256628 0.743372 Cu\n0.256628 0.743373 0.256627 Cu\n0.933364 0.430463 0.569537 Cu\n0.430463 0.933365 0.066634 Cu\n0.066635 0.569537 0.430463 Cu\n0.569536 0.066636 0.933365 Cu\n0.304281 0.848041 0.151958 O\n0.151959 0.695720 0.304280 O\n0.695719 0.151960 0.848041 O\n0.690164 0.690166 0.809835 O\n0.190165 0.190165 0.309835 O\n0.311510 0.311512 0.688489 O\n0.190927 0.190928 0.809073 O\n0.809834 0.809835 0.690165 O\n0.309835 0.309835 0.190165 O\n0.809072 0.809073 0.190927 O\n0.848040 0.304281 0.695719 O\n0.688489 0.688489 0.311511 O\n0.500000 0.500000 0.500000 O\n",
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],
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"formula_full": "Ba4 Y2 Cu6 O13",
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{
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"created_at": "2022-09-04T14:38:34.790795Z",
"updated_at": "2022-09-04T14:38:34.790813Z",
"structure_string": "Sr1 Li2 Nb2 O7\n1.0\n3.921675 0.002700 -0.841273\n-0.182918 3.917409 -0.841273\n-0.018220 -0.019103 9.477598\nSr Li Nb O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250018 0.749982 0.500000 Li\n0.749980 0.250019 0.500000 Li\n0.383028 0.383029 0.766130 Nb\n0.616970 0.616972 0.233871 Nb\n0.106080 0.606072 0.212151 O\n0.606071 0.106081 0.212151 O\n0.722154 0.722155 0.444305 O\n0.393927 0.893920 0.787850 O\n0.277844 0.277846 0.555695 O\n0.499999 0.500000 0.000000 O\n0.893918 0.393929 0.787850 O\n",
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{
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"created_at": "2022-09-04T14:38:41.679503Z",
"updated_at": "2022-09-04T14:38:41.679539Z",
"structure_string": "Sn1 H12 C7 O6\n1.0\n4.458250 -0.205343 -0.791939\n-2.154830 5.626038 -1.003487\n-0.229940 0.428830 9.342442\nSn H C O\n1 12 7 6\ndirect\n0.229003 0.663066 0.392361 Sn\n0.667091 0.074521 0.407305 H\n0.841381 0.008568 0.803207 H\n0.775079 0.302707 0.241134 H\n0.557830 0.388184 0.857390 H\n0.410860 0.149525 0.700624 H\n0.024127 0.257574 0.954054 H\n0.105878 0.547047 0.793734 H\n0.795094 0.729044 0.987951 H\n0.996810 0.987245 0.128089 H\n0.517140 0.114845 0.046797 H\n0.337112 0.865932 0.899561 H\n0.961620 0.305013 0.644540 H\n0.575025 0.992082 0.971879 C\n0.752013 0.861308 0.061981 C\n0.880989 0.422584 0.710924 C\n0.632002 0.272780 0.785562 C\n0.777739 0.565452 0.605440 C\n0.584073 0.736261 0.170269 C\n0.786366 0.132535 0.878715 C\n0.000771 0.721737 0.562556 O\n0.492102 0.008868 0.457494 O\n0.956333 0.309993 0.321150 O\n0.732972 0.668949 0.277046 O\n0.285795 0.704544 0.162077 O\n0.476256 0.530279 0.563851 O\n",
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}
]
}