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{
"id": "jvasp-14096",
"created_at": "2022-09-04T14:37:03.655427Z",
"updated_at": "2022-09-04T14:37:03.655447Z",
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{
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"structure_string": "Pr2 O3\n1.0\n1.949437 -3.376525 -0.000000\n1.949437 3.376525 -0.000000\n0.000000 -0.000000 6.090438\nPr O\n2 3\ndirect\n0.666668 0.333333 0.247037 Pr\n0.333333 0.666668 0.752964 Pr\n0.666668 0.333333 0.645612 O\n0.333333 0.666668 0.354389 O\n0.000000 0.000000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:00.386735Z",
"structure_string": "Pb8 O12\n1.0\n0.000000 7.645732 -0.014315\n5.739976 0.000000 0.000000\n0.000000 -3.069208 -7.256972\nPb O\n8 12\ndirect\n0.091354 0.754229 0.116987 Pb\n0.908646 0.254229 0.383013 Pb\n0.908646 0.245772 0.883013 Pb\n0.091354 0.745772 0.616987 Pb\n0.612584 0.741365 0.140539 Pb\n0.387416 0.241364 0.359461 Pb\n0.387416 0.258636 0.859461 Pb\n0.612583 0.758637 0.640539 Pb\n0.073009 0.937204 0.361608 O\n0.926990 0.437203 0.138393 O\n0.809024 0.593883 0.450537 O\n0.190975 0.093883 0.049464 O\n0.190975 0.406117 0.549464 O\n0.627559 0.128178 0.229757 O\n0.372441 0.871823 0.770244 O\n0.627558 0.371822 0.729757 O\n0.073009 0.562797 0.861608 O\n0.372441 0.628178 0.270244 O\n0.809024 0.906118 0.950536 O\n0.926990 0.062797 0.638392 O\n",
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"elements": [
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"density": 9.636001712673739,
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},
{
"id": "jvasp-49913",
"created_at": "2022-09-04T14:36:49.585889Z",
"updated_at": "2022-09-04T14:36:49.585923Z",
"structure_string": "Y4 O6\n1.0\n5.805311 -0.000000 -0.000000\n-2.902654 1.675849 5.036274\n2.902654 -5.027547 -0.000000\nY O\n4 6\ndirect\n0.141501 0.424501 0.141500 Y\n0.358499 0.075499 0.358500 Y\n0.641499 0.924500 0.641499 Y\n0.858500 0.575499 0.858501 Y\n0.250000 0.749999 0.542791 O\n0.042791 0.250000 0.750000 O\n0.457209 0.250000 0.042791 O\n0.542791 0.749999 0.957209 O\n0.957209 0.749999 0.250000 O\n0.750000 0.250000 0.457209 O\n",
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"elements": [
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},
{
"id": "jvasp-105499",
"created_at": "2022-09-04T14:36:48.416367Z",
"updated_at": "2022-09-04T14:36:48.416383Z",
"structure_string": "Ga2 Se3\n1.0\n5.138706 -0.013461 -4.404291\n-0.462826 3.675641 -5.663895\n-0.049799 0.013461 6.767688\nGa Se\n2 3\ndirect\n0.330117 0.340076 0.990041 Ga\n0.649965 0.659924 0.990041 Ga\n0.613925 0.843719 0.770206 Se\n0.926488 0.156280 0.770207 Se\n0.229506 0.500000 0.729505 Se\n",
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},
{
"id": "jvasp-9088",
"created_at": "2022-09-04T14:37:03.865856Z",
"updated_at": "2022-09-04T14:37:03.865880Z",
"structure_string": "Ga4 Se6\n1.0\n5.850913 0.040660 3.344814\n1.853242 6.378181 1.059450\n0.001128 0.020330 6.787785\nGa Se\n4 6\ndirect\n0.722466 0.504495 0.494593 Ga\n0.217060 0.004495 0.505407 Ga\n0.415090 0.500747 0.170093 Ga\n0.585183 0.000747 0.829907 Ga\n0.251930 0.888409 0.157434 Se\n0.409365 0.388409 0.842566 Se\n0.789069 0.360808 0.162317 Se\n0.951386 0.860808 0.837683 Se\n0.097450 0.393140 0.523150 Se\n0.620600 0.893140 0.476851 Se\n",
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"formula_full": "Ga4 Se6",
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"spacegroup": 9
},
{
"id": "jvasp-105316",
"created_at": "2022-09-04T14:36:58.592271Z",
"updated_at": "2022-09-04T14:36:58.592291Z",
"structure_string": "Si2 Rh3\n1.0\n3.981920 0.000000 0.000000\n-1.990961 3.448444 0.000000\n0.000000 -0.000000 5.181412\nSi Rh\n2 3\ndirect\n0.333333 0.666666 0.206704 Si\n0.666666 0.333333 0.793296 Si\n0.333333 0.666666 0.672885 Rh\n0.666666 0.333333 0.327115 Rh\n0.000000 0.000000 0.000000 Rh\n",
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"density": 8.516168555335168,
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"spacegroup": 164
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{
"id": "jvasp-8147",
"created_at": "2022-09-04T14:37:03.671445Z",
"updated_at": "2022-09-04T14:37:03.671469Z",
"structure_string": "Mg3 As2\n1.0\n2.137778 -3.702740 -0.000000\n2.137778 3.702740 0.000000\n-0.000000 -0.000000 6.763840\nMg As\n3 2\ndirect\n0.666668 0.333334 0.641343 Mg\n0.333334 0.666668 0.358657 Mg\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.231787 As\n0.333334 0.666668 0.768213 As\n",
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},
{
"id": "jvasp-12424",
"created_at": "2022-09-04T14:36:49.501023Z",
"updated_at": "2022-09-04T14:36:49.501060Z",
"structure_string": "In4 O6\n1.0\n4.891545 -0.007663 3.206165\n1.728089 4.576133 3.206165\n-0.011103 -0.007663 5.848640\nIn O\n4 6\ndirect\n0.642149 0.642149 0.642147 In\n0.857853 0.857852 0.857849 In\n0.357852 0.357852 0.357851 In\n0.142149 0.142148 0.142148 In\n0.046073 0.750000 0.453927 O\n0.750001 0.453928 0.046071 O\n0.453928 0.046073 0.749999 O\n0.953929 0.250001 0.546070 O\n0.546073 0.953928 0.249998 O\n0.250001 0.546073 0.953927 O\n",
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"elements": [
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},
{
"id": "jvasp-7765",
"created_at": "2022-09-04T14:36:59.197015Z",
"updated_at": "2022-09-04T14:36:59.197036Z",
"structure_string": "Y2 O3\n1.0\n1.834209 -3.176945 0.000000\n1.834209 3.176945 -0.000000\n-0.000000 -0.000000 5.859120\nY O\n2 3\ndirect\n0.333333 0.666667 0.248597 Y\n0.666667 0.333333 0.751403 Y\n0.333333 0.666667 0.646823 O\n0.666667 0.333333 0.353177 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-7771",
"created_at": "2022-09-04T14:37:02.923925Z",
"updated_at": "2022-09-04T14:37:02.923939Z",
"structure_string": "Lu2 O3\n1.0\n1.778066 -3.079700 -0.000000\n1.778066 3.079700 0.000000\n-0.000000 0.000000 5.719201\nLu O\n2 3\ndirect\n0.666668 0.333334 0.249402 Lu\n0.333334 0.666668 0.750598 Lu\n0.666668 0.333334 0.646198 O\n0.333334 0.666668 0.353802 O\n0.000000 0.000000 0.000000 O\n",
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},
{
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"structure_string": "Zr6 Si4\n1.0\n7.114212 0.000000 0.000000\n0.000000 7.114212 0.000000\n-0.000000 0.000000 3.711598\nZr Si\n6 4\ndirect\n0.674546 0.174546 0.500000 Zr\n0.325453 0.825453 0.500000 Zr\n0.174546 0.325453 0.500000 Zr\n0.825453 0.674546 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 -0.000000 Zr\n0.122578 0.622577 -0.000000 Si\n0.877422 0.377422 -0.000000 Si\n0.622577 0.877422 -0.000000 Si\n0.377422 0.122578 -0.000000 Si\n",
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}