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{
"id": "jvasp-111931",
"created_at": "2022-09-04T14:38:52.464187Z",
"updated_at": "2022-09-04T14:38:52.464214Z",
"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.748492 0.000000 0.000000\n0.000000 4.968647 0.371817\n0.000000 -0.048168 8.305137\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477584 0.798132 0.810994 Li\n0.977584 0.201868 0.189006 Li\n0.250904 0.229997 0.659383 Mn\n0.750904 0.770003 0.340617 Mn\n0.249906 0.299867 0.939010 C\n0.749906 0.700133 0.060990 C\n0.756664 0.253775 0.589555 S\n0.256664 0.746225 0.410445 S\n0.777144 0.508719 0.179331 O\n0.435128 0.794203 0.314593 O\n0.081107 0.841337 0.319937 O\n0.770142 0.122094 0.433124 O\n0.233861 0.449251 0.456457 O\n0.733861 0.550749 0.543544 O\n0.277144 0.491281 0.820669 O\n0.581107 0.158663 0.680063 O\n0.935128 0.205797 0.685408 O\n0.760736 0.939392 0.122523 O\n0.260736 0.060608 0.877478 O\n0.708976 0.660924 0.920386 O\n0.270142 0.877906 0.566877 O\n0.208976 0.339076 0.079615 O\n",
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{
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"structure_string": "H2\n1.0\n-1.889305 1.889305 1.773897\n1.889305 -1.889305 1.773897\n1.889305 1.889305 -1.773897\nH\n2\ndirect\n0.894162 0.894162 0.000000 H\n0.105839 0.105839 0.000000 H\n",
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{
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"structure_string": "H2\n1.0\n-1.889305 1.889305 1.773897\n1.889305 -1.889305 1.773897\n1.889305 1.889305 -1.773897\nH\n2\ndirect\n0.894162 0.894162 0.000000 H\n0.105839 0.105839 0.000000 H\n",
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{
"id": "jvasp-118823",
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"structure_string": "Zr1 Nb1 O4\n1.0\n3.434593 -3.491701 0.000000\n3.434593 3.491701 0.000000\n0.000000 0.000000 3.167953\nZr Nb O\n1 1 4\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Nb\n0.299374 0.299374 0.000000 O\n0.197106 0.802894 0.499999 O\n0.802894 0.197106 0.499999 O\n0.700626 0.700626 0.000000 O\n",
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"formula_full": "Zr1 Nb1 O4",
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"formula_anonymous": "ABC4",
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"spacegroup": 65
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{
"id": "jvasp-116750",
"created_at": "2022-09-04T14:38:44.347156Z",
"updated_at": "2022-09-04T14:38:44.347178Z",
"structure_string": "Sr2 Al1 Tl1 Co2 O7\n1.0\n3.682193 0.065387 -0.264096\n-0.112015 3.681661 0.255976\n0.181497 -0.144245 12.114540\nSr Al Tl Co O\n2 1 1 2 7\ndirect\n0.464398 0.535868 0.796568 Sr\n0.544015 0.455794 0.217981 Sr\n0.446678 0.553180 0.511497 Al\n0.003650 0.996415 0.004529 Tl\n0.935380 0.064859 0.629997 Co\n0.062638 0.937061 0.368670 Co\n0.428054 0.079952 0.592431 O\n0.920353 0.572244 0.592377 O\n0.574835 0.883523 0.394314 O\n0.116183 0.424824 0.394329 O\n0.963181 0.037077 0.792689 O\n0.040155 0.959661 0.202393 O\n0.500490 0.499552 0.002230 O\n",
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{
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"structure_string": "Ge3 O6\n1.0\n2.467994 -4.274690 0.000000\n2.467994 4.274690 -0.000000\n0.000000 0.000000 5.401747\nGe O\n3 6\ndirect\n0.219137 0.219137 0.000000 Ge\n-0.000001 0.780862 0.666667 Ge\n0.780862 -0.000001 0.333333 Ge\n0.955300 0.379672 0.805518 O\n0.620326 0.575627 0.138851 O\n0.424372 0.044698 0.472185 O\n0.379672 0.955300 0.194482 O\n0.044698 0.424372 0.527816 O\n0.575627 0.620326 0.861150 O\n",
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{
"id": "jvasp-96989",
"created_at": "2022-09-04T14:35:49.875545Z",
"updated_at": "2022-09-04T14:35:49.875572Z",
"structure_string": "Bi4 Ru4 O14\n1.0\n6.348930 -0.000000 3.665556\n2.116310 5.985828 3.665556\n0.000000 -0.000000 7.331113\nBi Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.500000 0.000000 Ru\n0.077477 0.672523 0.077478 O\n0.672523 0.077477 0.672523 O\n0.672523 0.077477 0.077478 O\n0.625000 0.625000 0.625000 O\n0.922523 0.327477 0.327478 O\n0.327477 0.922523 0.327478 O\n0.327477 0.327477 0.922523 O\n0.922523 0.922523 0.327478 O\n0.922523 0.327477 0.922523 O\n0.077477 0.672523 0.672523 O\n0.327477 0.922523 0.922523 O\n0.375000 0.375000 0.375000 O\n0.672523 0.672523 0.077478 O\n0.077477 0.077477 0.672523 O\n",
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{
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"created_at": "2022-09-04T14:37:13.974348Z",
"updated_at": "2022-09-04T14:37:13.974356Z",
"structure_string": "Ti1 O2\n1.0\n5.162913 -0.507893 -0.300815\n4.584825 2.427554 -0.300815\n4.584825 0.902908 2.273381\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.600936 0.600937 0.600933 O\n0.399064 0.399065 0.399062 O\n",
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{
"id": "jvasp-119670",
"created_at": "2022-09-04T14:38:52.427408Z",
"updated_at": "2022-09-04T14:38:52.427431Z",
"structure_string": "Hf8 Mg1 N8 O4\n1.0\n4.954206 -0.002547 2.363241\n2.560699 4.659845 1.054700\n-0.003331 -0.046919 11.517409\nHf Mg N O\n8 1 8 4\ndirect\n0.050166 0.441334 0.279448 Hf\n0.163641 0.069093 0.804068 Hf\n0.353633 0.424146 0.977729 Hf\n0.535310 0.059659 0.507882 Hf\n0.246121 0.776298 0.449799 Hf\n0.757376 0.122177 0.216778 Hf\n0.624208 0.762865 0.049393 Hf\n0.945927 0.706248 0.744974 Hf\n0.700045 0.409699 0.656605 Mg\n0.740014 0.031758 0.892663 N\n0.165084 0.957733 0.629073 N\n0.898701 0.730876 0.130253 N\n0.500926 0.683842 0.839221 N\n0.496798 0.433839 0.121358 N\n0.368760 0.317659 0.668474 N\n0.352414 0.108453 0.360319 N\n0.647864 0.397517 0.379332 N\n0.026822 0.433395 0.914377 O\n0.190969 0.126864 0.130774 O\n0.980429 0.810172 0.347878 O\n0.859535 0.703403 0.581120 O\n",
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{
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"created_at": "2022-09-04T14:37:18.068251Z",
"updated_at": "2022-09-04T14:37:18.068265Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n3.849566 -0.002357 -0.000044\n-1.920324 7.512245 0.004905\n-0.000754 -1.496625 9.197391\nSr Ti N O\n2 6 2 11\ndirect\n0.459619 0.916426 0.211459 Sr\n0.553515 0.104223 0.753366 Sr\n0.878354 0.753872 0.900003 Ti\n0.835562 0.668319 0.571837 Ti\n0.768756 0.534729 0.237503 Ti\n0.237550 0.472305 0.768372 Ti\n0.165726 0.328659 0.433542 Ti\n0.123442 0.244110 0.078896 Ti\n0.767533 0.532269 0.751977 N\n0.159822 0.316876 0.902219 N\n0.127937 0.253079 0.612328 O\n0.637636 0.272493 0.124326 O\n0.702378 0.401957 0.429114 O\n0.240644 0.478499 0.244753 O\n0.938956 0.875101 0.711006 O\n0.367410 0.732007 0.897056 O\n0.835529 0.668236 0.091746 O\n0.873485 0.744212 0.382347 O\n0.063717 0.124624 0.307069 O\n0.306000 0.609200 0.566251 O\n-0.000868 0.995476 0.012988 O\n",
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"structure_string": "Ni3 Au1\n1.0\n-1.851253 1.851253 3.695568\n1.851253 -1.851253 3.695568\n1.851253 1.851253 -3.695568\nNi Au\n3 1\ndirect\n0.749998 0.250001 0.499997 Ni\n0.250001 0.749998 0.499997 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Au\n",
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{
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]
}