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{
"id": "jvasp-112926",
"created_at": "2022-09-04T14:38:41.874787Z",
"updated_at": "2022-09-04T14:38:41.874813Z",
"structure_string": "Li3 Ni3 Te1 O8\n1.0\n5.149360 -0.021944 2.968558\n1.704833 4.859005 2.968558\n-0.031095 -0.021944 5.943675\nLi Ni Te O\n3 3 1 8\ndirect\n0.000000 0.000000 0.500000 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.499999 0.500001 0.000000 Ni\n0.500000 0.000001 0.500000 Ni\n-0.000000 0.500001 0.500000 Ni\n0.000000 0.000000 0.000000 Te\n0.734572 0.734574 0.734572 O\n0.232474 0.232475 0.764987 O\n0.232473 0.764988 0.232474 O\n0.265428 0.265429 0.265428 O\n0.764987 0.232475 0.232474 O\n0.767526 0.767528 0.235013 O\n0.767526 0.235014 0.767526 O\n0.235013 0.767528 0.767527 O\n",
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"structure_string": "Sn1 H24 C13 O6\n1.0\n5.032208 0.042799 -0.395730\n-2.876671 7.515382 -3.052561\n-0.141134 -0.078296 9.601137\nSn H C O\n1 24 13 6\ndirect\n0.005842 0.586833 0.161055 Sn\n0.863424 0.364105 0.554710 H\n0.019525 0.769302 0.011864 H\n0.852177 0.346736 0.731886 H\n0.515845 0.011277 0.565353 H\n0.887482 0.075338 0.580164 H\n0.812817 0.112639 0.327997 H\n0.437091 0.015492 0.310295 H\n0.982658 0.795365 0.555456 H\n0.918553 0.006967 0.793903 H\n0.562112 0.539345 0.474647 H\n0.478747 0.719257 0.594545 H\n0.120284 0.543976 0.397203 H\n0.329377 0.259526 0.678725 H\n0.041811 0.663277 0.650629 H\n0.433741 0.897114 0.784937 H\n0.410082 0.101788 0.800558 H\n0.932382 0.867305 0.886806 H\n0.144311 0.139396 0.123943 H\n0.497750 0.275845 0.232975 H\n0.712136 0.142107 0.030439 H\n0.320427 0.271088 0.498169 H\n0.455363 0.965518 0.052193 H\n0.650741 0.584632 0.803055 H\n0.298920 0.541420 0.722172 H\n0.343197 0.996986 0.843959 C\n0.498236 0.527861 0.692546 C\n0.361397 0.206605 0.116718 C\n0.015400 0.909527 0.798779 C\n0.482892 0.074593 0.014402 C\n0.452501 0.328486 0.615463 C\n0.695400 0.093850 0.536038 C\n0.919828 0.748342 0.644547 C\n0.648241 0.023238 0.359621 C\n0.731395 0.291566 0.612733 C\n0.665235 0.839969 0.298594 C\n0.353561 0.347905 0.060554 C\n0.602047 0.632988 0.594630 C\n0.906483 0.827950 0.274290 O\n0.114479 0.684821 0.008326 O\n0.943245 0.488631 0.318994 O\n0.576768 0.447151 0.038252 O\n0.112669 0.363085 0.029986 O\n0.453386 0.704595 0.283535 O\n",
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"formula_full": "Sn1 H24 C13 O6",
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{
"id": "jvasp-111796",
"created_at": "2022-09-04T14:38:41.877163Z",
"updated_at": "2022-09-04T14:38:41.877188Z",
"structure_string": "Na1 Sr2 La1 Ti4 O12\n1.0\n5.504401 0.000000 0.000000\n0.000000 5.504401 0.000000\n0.000000 0.000000 7.884874\nNa Sr La Ti O\n1 2 1 4 12\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.247722 Ti\n0.500000 0.000000 0.752277 Ti\n0.500000 0.000000 0.247722 Ti\n0.000000 0.500000 0.752277 Ti\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.718823 0.281176 0.751265 O\n0.208669 0.791331 0.245042 O\n0.281176 0.718823 0.751265 O\n0.718823 0.718823 0.248734 O\n0.791331 0.791331 0.754958 O\n0.281176 0.281176 0.248734 O\n0.500000 0.000000 0.000000 O\n0.208669 0.208669 0.754958 O\n0.791331 0.208669 0.245042 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-111736",
"created_at": "2022-09-04T14:38:41.886252Z",
"updated_at": "2022-09-04T14:38:41.886283Z",
"structure_string": "Na1 Yb1 Pd6 O8\n1.0\n5.740065 0.000000 -0.000000\n0.000000 5.740065 0.000000\n-0.000000 0.000000 5.740065\nYb Na Pd O\n1 1 6 8\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Na\n0.250771 0.000000 0.500000 Pd\n0.749228 0.000000 0.500000 Pd\n0.500000 0.250771 0.000000 Pd\n0.500000 0.749228 0.000000 Pd\n0.000000 0.500000 0.250771 Pd\n0.000000 0.500000 0.749228 Pd\n0.243914 0.243914 0.243914 O\n0.756085 0.756085 0.756085 O\n0.756085 0.756085 0.243914 O\n0.756085 0.243914 0.756085 O\n0.243914 0.243914 0.756085 O\n0.243914 0.756085 0.243914 O\n0.243914 0.756085 0.756085 O\n0.756085 0.243914 0.243914 O\n",
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{
"id": "jvasp-116386",
"created_at": "2022-09-04T14:38:41.889084Z",
"updated_at": "2022-09-04T14:38:41.889103Z",
"structure_string": "Sb1 Pb1 O3\n1.0\n4.206687 -0.000000 0.000000\n-0.000000 4.206687 -0.000000\n-0.000000 -0.000000 4.206687\nSb Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_anonymous": "ABC3",
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},
{
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"created_at": "2022-09-04T14:38:41.892349Z",
"updated_at": "2022-09-04T14:38:41.892376Z",
"structure_string": "Li3 Mn2 Co1 O6\n1.0\n4.528735 -0.007413 2.184483\n3.647866 2.683759 2.184483\n0.057758 0.018905 8.792746\nLi Mn Co O\n3 2 1 6\ndirect\n0.331849 0.331852 0.848544 Li\n-0.000001 0.000001 0.500000 Li\n0.668149 0.668151 0.151456 Li\n0.672535 0.672539 0.680818 Mn\n0.327462 0.327464 0.319182 Mn\n0.000000 0.000000 0.000000 Co\n0.347437 0.347438 0.066851 O\n0.016671 0.016673 0.765957 O\n0.674009 0.674012 0.403980 O\n0.325989 0.325991 0.596020 O\n0.983326 0.983330 0.234043 O\n0.652561 0.652565 0.933148 O\n",
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{
"id": "jvasp-114747",
"created_at": "2022-09-04T14:38:41.893261Z",
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"structure_string": "Cd1 F2\n1.0\n3.487733 0.000000 0.000000\n0.000000 3.357818 0.000000\n0.000000 0.000000 4.635259\nCd F\n1 2\ndirect\n0.466667 0.000000 0.000000 Cd\n-0.033334 0.000000 0.739308 F\n-0.033334 0.000000 0.260693 F\n",
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{
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"structure_string": "Li2 H2\n1.0\n2.852688 -0.212087 0.379888\n-0.158670 -4.707328 -1.156873\n-0.913479 0.711997 -2.643923\nLi H\n2 2\ndirect\n0.016984 0.229074 0.172038 Li\n0.648421 0.749402 0.540378 Li\n0.360409 0.066775 -0.172865 H\n-0.005905 0.596823 0.193145 H\n",
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{
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"updated_at": "2022-09-04T14:38:41.894978Z",
"structure_string": "Li1 Te1 H1\n1.0\n4.567315 -0.000000 -0.000000\n-2.283658 3.955411 0.000000\n-0.000000 0.000000 3.202523\nLi Te H\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Li\n0.666668 0.333333 0.000000 Te\n0.000000 0.000000 0.000000 H\n",
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{
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"structure_string": "Li1 Se2\n1.0\n5.045032 -0.000000 -0.000000\n-2.522516 4.369126 -0.000000\n-0.000000 -0.000000 2.864665\nLi Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333332 0.666667 0.000000 Se\n0.666665 0.333333 0.000000 Se\n",
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"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
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"structure_string": "Li3 Mg1 Ni4 O8\n1.0\n5.032614 -0.017992 2.872763\n1.659577 4.751140 2.872763\n-0.025439 -0.017992 5.794768\nLi Mg Ni O\n3 1 4 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Mg\n0.499999 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000001 Ni\n0.750821 0.266893 0.750821 O\n0.249179 0.733108 0.249178 O\n0.733107 0.249179 0.249178 O\n0.258773 0.258774 0.258773 O\n0.741226 0.741227 0.741226 O\n0.266892 0.750822 0.750821 O\n0.249178 0.249179 0.733108 O\n0.750821 0.750822 0.266892 O\n",
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}