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{
"id": "jvasp-45777",
"created_at": "2022-09-04T14:38:00.196820Z",
"updated_at": "2022-09-04T14:38:00.196838Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n4.808427 0.000000 0.000000\n-0.000000 5.504527 0.000000\n0.000000 0.000000 9.382677\nLi V Si O\n4 4 4 16\ndirect\n0.943167 0.750000 0.612877 Li\n0.556834 0.750000 0.112877 Li\n0.443167 0.250000 0.887123 Li\n0.056834 0.250000 0.387123 Li\n0.980239 0.250000 0.723955 V\n0.519762 0.250000 0.223955 V\n0.480238 0.750000 0.776046 V\n0.019762 0.750000 0.276046 V\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.302035 0.503971 0.337535 O\n0.190168 0.750000 0.073985 O\n0.309832 0.750000 0.573985 O\n0.197965 0.996030 0.837535 O\n0.197965 0.503971 0.837535 O\n0.226585 0.250000 0.065974 O\n0.773416 0.750000 0.934027 O\n0.697966 0.003971 0.662465 O\n0.802035 0.003971 0.162465 O\n0.690168 0.250000 0.426015 O\n0.809833 0.250000 0.926015 O\n0.697966 0.496030 0.662465 O\n0.302035 0.996030 0.337535 O\n0.726585 0.750000 0.434027 O\n0.802035 0.496030 0.162465 O\n0.273416 0.250000 0.565974 O\n",
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{
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"structure_string": "Ta1 Mn2 B4\n1.0\n-0.000000 -0.000000 3.034751\n3.176291 -0.000000 -0.000000\n-1.588145 6.440699 -1.517375\nTa Mn B\n1 2 4\ndirect\n0.500000 0.000000 0.000000 Ta\n0.187427 0.187427 0.374853 Mn\n0.812575 0.812574 0.625147 Mn\n0.353627 0.353627 0.707252 B\n0.646374 0.646374 0.292748 B\n0.927585 0.427585 0.855167 B\n0.072417 0.572416 0.144833 B\n",
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{
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"updated_at": "2022-09-04T14:38:43.402048Z",
"structure_string": "Ti1 H18 C11 O4\n1.0\n5.850948 -0.058875 -1.646690\n-0.843690 6.638838 0.019932\n-0.307167 -0.105665 7.862661\nTi H C O\n1 18 11 4\ndirect\n-0.045691 0.508259 0.090264 Ti\n0.593274 0.013455 0.260629 H\n0.039491 0.052734 0.533159 H\n0.593279 0.724360 -0.035360 H\n0.822804 0.829965 0.872504 H\n0.298727 0.073360 0.876936 H\n0.202398 0.287083 0.765854 H\n0.109489 0.184861 0.251642 H\n0.461022 0.415965 0.472420 H\n0.305171 0.122381 0.492182 H\n0.330021 0.289837 0.151742 H\n0.166912 0.739189 0.670253 H\n0.456223 0.819568 0.671537 H\n0.710844 0.786053 0.324328 H\n0.650544 -0.063237 0.486889 H\n0.060477 0.140690 0.016321 H\n0.843393 0.897459 0.100553 H\n0.667629 0.254687 0.466643 H\n0.759102 0.515911 0.506415 H\n0.228679 0.049512 0.588763 C\n0.317824 0.171141 0.769240 C\n0.642434 0.390175 0.533471 C\n0.589187 0.883826 0.345785 C\n0.271739 0.825821 0.596504 C\n0.701588 0.375224 0.731337 C\n0.215502 0.730118 0.412316 C\n0.562545 0.283028 0.831682 C\n0.144028 0.245234 0.131799 C\n0.778965 0.781718 0.991964 C\n0.350353 0.768006 0.298112 C\n0.017141 0.604597 0.339311 O\n0.255279 0.681262 0.135388 O\n0.901988 0.476133 0.830618 O\n0.656859 0.324905 0.005927 O\n",
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{
"id": "jvasp-101817",
"created_at": "2022-09-04T14:36:49.978640Z",
"updated_at": "2022-09-04T14:36:49.978649Z",
"structure_string": "H10 C14 O1\n1.0\n3.704956 -0.001685 0.411285\n0.180943 5.475263 0.405323\n-0.052232 0.032913 10.925793\nH C O\n10 14 1\ndirect\n0.645936 0.134907 0.271627 H\n0.195270 0.065316 0.684901 H\n0.360058 0.147837 0.095026 H\n0.776894 0.287237 0.074435 H\n0.712771 0.709238 0.901439 H\n0.180783 0.808575 0.528505 H\n0.134749 0.847695 0.302597 H\n0.681960 0.764644 0.676538 H\n0.214412 0.014284 0.910805 H\n0.679442 0.093563 0.495507 H\n0.319717 0.178496 0.859194 C\n0.557562 0.258966 0.453722 C\n0.313467 0.205965 0.731655 C\n0.540318 0.283663 0.326873 C\n0.428544 0.446646 0.528762 C\n0.462235 0.358948 0.921904 C\n0.576702 0.600141 0.727568 C\n0.385552 0.495920 0.270989 C\n0.592064 0.570151 0.854441 C\n0.283851 0.661498 0.471747 C\n0.340444 0.524981 0.136919 C\n0.258765 0.684624 0.345684 C\n0.491335 0.318642 0.058246 C\n0.440740 0.417538 0.663775 C\n0.177929 0.706331 0.092855 O\n",
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{
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"created_at": "2022-09-04T14:36:30.902124Z",
"updated_at": "2022-09-04T14:36:30.902152Z",
"structure_string": "Li2 Ti1 Cr1 O4\n1.0\n2.454947 -0.000420 4.545450\n0.027164 2.925768 9.925695\n0.026891 -0.000417 9.925493\nLi Ti Cr O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000001 0.500000 -0.000000 Li\n0.500000 -0.000001 0.500000 Ti\n0.500002 0.499999 0.500000 Cr\n0.256382 -0.000009 0.238409 O\n0.249204 0.499993 0.244382 O\n0.743618 0.000009 0.761591 O\n0.750795 0.500007 0.755618 O\n",
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"spacegroup": 10
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{
"id": "jvasp-43424",
"created_at": "2022-09-04T14:35:43.350714Z",
"updated_at": "2022-09-04T14:35:43.350737Z",
"structure_string": "Li4 Mn2 Cu2 O8\n1.0\n5.943521 0.037889 -0.070346\n0.399584 5.930195 -0.070346\n-3.225384 -3.034690 4.098643\nLi Mn Cu O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.499999 Li\n0.499999 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000000 Li\n0.499999 0.500000 -0.000001 Li\n-0.000001 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.234401 0.738363 0.017985 O\n0.270828 0.239560 0.488895 O\n0.261636 0.765598 0.482013 O\n0.760438 0.729172 0.011102 O\n0.239560 0.270828 0.988895 O\n0.738363 0.234402 0.517984 O\n0.729170 0.760440 0.511102 O\n0.765597 0.261636 0.982013 O\n",
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{
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"created_at": "2022-09-04T14:38:38.398855Z",
"updated_at": "2022-09-04T14:38:38.398883Z",
"structure_string": "Co2 Ni2 O6\n1.0\n4.301694 0.008135 -2.214971\n-1.595683 4.002514 2.200042\n-0.049125 0.051991 5.189234\nCo Ni O\n2 2 6\ndirect\n0.846801 0.153182 0.540430 Co\n0.153199 0.846818 0.459571 Co\n0.352168 0.647806 0.056560 Ni\n0.647834 0.352194 0.943439 Ni\n0.759869 0.947671 0.256538 O\n0.947673 0.444366 0.743453 O\n0.555653 0.759871 0.743462 O\n0.444345 0.240130 0.256536 O\n0.052331 0.555636 0.256546 O\n0.240131 0.052326 0.743464 O\n",
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},
{
"id": "jvasp-88621",
"created_at": "2022-09-04T14:35:51.444605Z",
"updated_at": "2022-09-04T14:35:51.444628Z",
"structure_string": "B4 H12 O12\n1.0\n6.798783 -0.030587 -1.509461\n-3.562630 5.961464 -0.039685\n-0.208543 0.141605 6.168447\nB H O\n4 12 12\ndirect\n0.313654 0.548991 0.734496 B\n0.686345 0.451007 0.265504 B\n0.656564 0.221899 0.765297 B\n0.343435 0.778099 0.234703 B\n0.727614 0.761050 0.266446 H\n0.272385 0.238948 0.733554 H\n0.922606 0.179829 0.755948 H\n0.656507 0.049310 0.244579 H\n0.343492 0.950688 0.755421 H\n0.077393 0.820169 0.244052 H\n0.047068 0.591749 0.742365 H\n0.369682 0.177833 0.240175 H\n0.630317 0.822165 0.759825 H\n0.307117 0.469161 0.248396 H\n0.692882 0.530837 0.751604 H\n0.952931 0.408249 0.257634 H\n0.239322 0.902778 0.227489 O\n0.760677 0.097220 0.772510 O\n0.219711 0.549875 0.242483 O\n0.780288 0.450123 0.757517 O\n0.815937 0.680833 0.278383 O\n0.213686 0.676054 0.739591 O\n0.786313 0.323944 0.260409 O\n0.455181 0.346622 0.253926 O\n0.544818 0.653376 0.746073 O\n0.427593 0.118904 0.761674 O\n0.184062 0.319165 0.721617 O\n0.572406 0.881094 0.238325 O\n",
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{
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"structure_string": "H8 C2 N4 O2\n1.0\n5.504776 0.000000 -0.000000\n0.000000 5.504776 0.000000\n0.000000 0.000000 4.681425\nH C N O\n8 2 4 2\ndirect\n0.852642 0.647359 0.955935 H\n0.352642 0.852642 0.044064 H\n0.647359 0.147358 0.044064 H\n0.147358 0.352642 0.955935 H\n0.263344 0.236656 0.281001 H\n0.236656 0.736657 0.718998 H\n0.763344 0.263344 0.718998 H\n0.736657 0.763344 0.281001 H\n0.500000 0.000000 0.677172 C\n0.000000 0.500000 0.322827 C\n0.351623 0.851623 0.825602 N\n0.148378 0.351623 0.174397 N\n0.648378 0.148378 0.825602 N\n0.851623 0.648378 0.174397 N\n0.000000 0.500000 0.595846 O\n0.500000 0.000000 0.404153 O\n",
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{
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"structure_string": "Mg6 V1 H16\n1.0\n5.721330 -0.000000 3.303211\n1.907110 5.394121 3.303211\n-0.000000 -0.000000 6.606422\nMg V H\n6 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.357337 0.927992 0.357336 H\n0.357336 0.357336 0.927991 H\n0.642664 0.642663 0.642663 H\n0.072008 0.642663 0.642663 H\n0.642664 0.072008 0.642663 H\n0.642664 0.642663 0.072008 H\n0.110237 0.110237 0.110237 H\n0.110237 0.110237 0.669290 H\n0.110237 0.669290 0.110237 H\n0.927992 0.357336 0.357336 H\n0.889763 0.889763 0.889762 H\n0.330710 0.889763 0.889763 H\n0.889763 0.330710 0.889763 H\n0.889763 0.889763 0.330709 H\n0.669290 0.110237 0.110237 H\n0.357336 0.357336 0.357336 H\n",
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{
"id": "jvasp-38613",
"created_at": "2022-09-04T14:37:59.969275Z",
"updated_at": "2022-09-04T14:37:59.969306Z",
"structure_string": "H8 C2 N4 O2\n1.0\n5.504451 -0.000000 0.000000\n-0.000000 5.504451 -0.000000\n0.000000 0.000000 4.680601\nH C N O\n8 2 4 2\ndirect\n0.736644 0.763356 0.780824 H\n0.263356 0.236644 0.780824 H\n0.852605 0.647395 0.455665 H\n0.147395 0.352605 0.455665 H\n0.236644 0.736644 0.219175 H\n0.763356 0.263356 0.219175 H\n0.352605 0.852605 0.544335 H\n0.647395 0.147395 0.544335 H\n0.500000 0.000000 0.177399 C\n0.000000 0.500000 0.822601 C\n0.851607 0.648393 0.674168 N\n0.148393 0.351607 0.674168 N\n0.351607 0.851607 0.325832 N\n0.648393 0.148393 0.325832 N\n0.500000 0.000000 0.904331 O\n0.000000 0.500000 0.095668 O\n",
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{
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"created_at": "2022-09-04T14:38:29.150472Z",
"updated_at": "2022-09-04T14:38:29.150493Z",
"structure_string": "Li2 Mn2 O4\n1.0\n4.097684 0.000028 -0.000337\n-0.000106 4.097656 -0.000086\n-2.048712 -2.048606 4.222866\nLi Mn O\n2 2 4\ndirect\n0.749414 0.248654 0.500908 Li\n0.499339 0.498640 0.000876 Li\n0.999399 0.998708 0.000980 Mn\n0.249420 0.748675 0.500978 Mn\n0.233251 0.232520 0.468653 O\n0.765597 0.764873 0.533336 O\n0.015583 0.514882 0.033333 O\n0.483233 0.982521 0.968642 O\n",
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]
}