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{
"id": "jvasp-2409",
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"structure_string": "Rb2 Hg1 O2\n1.0\n3.975126 -0.000000 -1.109566\n-0.309710 3.963042 -1.109566\n0.020729 0.022412 7.749681\nRb Hg O\n2 1 2\ndirect\n0.666995 0.666994 0.333987 Rb\n0.333006 0.333005 0.666012 Rb\n0.000000 0.000000 0.000000 Hg\n0.860782 0.860781 0.721563 O\n0.139219 0.139218 0.278436 O\n",
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{
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"structure_string": "Rb2 Hg1 F4\n1.0\n4.399176 0.000000 -1.383034\n-0.434805 4.377637 -1.383034\n-0.010082 -0.011133 7.655934\nRb Hg F\n2 1 4\ndirect\n0.359319 0.359320 0.718638 Rb\n0.640681 0.640682 0.281363 Rb\n0.000000 0.000000 0.000000 Hg\n0.164671 0.164671 0.329343 F\n0.835329 0.835330 0.670658 F\n0.500000 0.000000 0.000000 F\n-0.000001 0.500000 0.000000 F\n",
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{
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"structure_string": "Rb1 Hg1 F3\n1.0\n4.583717 0.000000 0.000000\n0.000000 4.583717 0.000000\n0.000000 0.000000 4.583717\nRb Hg F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:37:54.751908Z",
"updated_at": "2022-09-04T14:37:54.751935Z",
"structure_string": "Rb2 Hg1 Au1\n1.0\n-0.000000 4.196130 4.196130\n4.196130 0.000000 4.196130\n4.196130 4.196130 0.000000\nRb Hg Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"volume": 147.76677650195882,
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{
"id": "jvasp-90536",
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"updated_at": "2022-09-04T14:37:41.115128Z",
"structure_string": "Rb2 Hf2 O5\n1.0\n9.012296 0.000000 -0.000000\n-0.000000 4.056978 0.000000\n0.000000 0.000000 4.056978\nRb Hf O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.000000 0.000000 Rb\n0.278523 0.500001 0.500001 Hf\n0.721479 0.500001 0.500001 Hf\n0.234576 0.500001 0.000000 O\n0.765425 0.500001 0.000000 O\n0.500001 0.500001 0.500001 O\n0.234576 0.000000 0.500001 O\n0.765425 0.000000 0.500001 O\n",
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"density": 6.805334705382404,
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"volume": 148.33401516313157,
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"formula_full": "Rb2 Hf2 O5",
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"formula_anonymous": "A2B2C5",
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{
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"created_at": "2022-09-04T14:36:58.623300Z",
"updated_at": "2022-09-04T14:36:58.623314Z",
"structure_string": "Rb2 Hf2 O5\n1.0\n4.055508 -0.000000 0.000000\n0.000000 4.055508 0.000000\n-0.000000 -0.000000 8.997743\nRb Hf O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.278186 Hf\n0.500000 0.500000 0.721813 Hf\n0.500000 0.000000 0.234197 O\n0.500000 0.000000 0.765803 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.500000 0.234197 O\n-0.000000 0.500000 0.765803 O\n",
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},
{
"id": "jvasp-40398",
"created_at": "2022-09-04T14:37:45.973381Z",
"updated_at": "2022-09-04T14:37:45.973410Z",
"structure_string": "Rb2 Hf2 O5\n1.0\n4.056930 -0.000000 -0.000000\n0.000000 4.056930 -0.000000\n-0.000000 0.000000 9.012512\nRb Hf O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.278525 Hf\n0.500000 0.500000 0.721475 Hf\n0.500000 0.000000 0.234572 O\n0.500000 0.000000 0.765428 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.234572 O\n0.000000 0.500000 0.765428 O\n",
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"formula_full": "Rb2 Hf2 O5",
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},
{
"id": "jvasp-89203",
"created_at": "2022-09-04T14:35:42.956613Z",
"updated_at": "2022-09-04T14:35:42.956634Z",
"structure_string": "Rb4 Hf4 F20\n1.0\n7.753125 0.030397 0.000008\n-3.722241 6.799420 -0.000010\n0.000008 -0.000007 7.925062\nRb Hf F\n4 4 20\ndirect\n0.703835 0.796211 0.500142 Rb\n0.796164 0.703790 0.000143 Rb\n0.296165 0.203789 0.499858 Rb\n0.203836 0.296210 0.999857 Rb\n0.162689 0.662418 0.338176 Hf\n0.837310 0.337582 0.661824 Hf\n0.662688 0.162418 0.161825 Hf\n0.337312 0.837582 0.838175 Hf\n0.937826 0.437069 0.209203 F\n0.562173 0.062931 0.709203 F\n0.062173 0.562931 0.790797 F\n0.437827 0.937069 0.290797 F\n0.070709 0.860056 0.288953 F\n0.429291 0.639944 0.788951 F\n0.911644 0.588079 0.499615 F\n0.360000 0.569899 0.289340 F\n0.140000 0.930100 0.789342 F\n0.639999 0.430101 0.710660 F\n0.860000 0.069900 0.210658 F\n0.790199 0.290671 0.935930 F\n0.709801 0.209329 0.435930 F\n0.209801 0.709329 0.064070 F\n0.290199 0.790670 0.564070 F\n0.411644 0.088079 0.000387 F\n0.088356 0.411921 0.500385 F\n0.588356 0.911921 0.999613 F\n0.570709 0.360056 0.211049 F\n0.929291 0.139944 0.711047 F\n",
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"formula_full": "Rb4 Hf4 F20",
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},
{
"id": "jvasp-21970",
"created_at": "2022-09-04T14:37:33.702855Z",
"updated_at": "2022-09-04T14:37:33.702879Z",
"structure_string": "Rb2 Hf1 F6\n1.0\n3.053895 -5.289500 -0.000000\n3.053895 5.289500 0.000000\n-0.000000 0.000000 4.768708\nRb Hf F\n2 1 6\ndirect\n0.333332 0.666666 0.300923 Rb\n0.666666 0.333332 0.699077 Rb\n0.000000 0.000000 0.000000 Hf\n0.841173 0.682346 0.230969 F\n0.841173 0.158825 0.230969 F\n0.317652 0.158826 0.230969 F\n0.158826 0.317652 0.769031 F\n0.158825 0.841173 0.769031 F\n0.682346 0.841173 0.769031 F\n",
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"formula_full": "Rb2 Hf1 F6",
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},
{
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"created_at": "2022-09-04T14:37:02.155663Z",
"updated_at": "2022-09-04T14:37:02.155688Z",
"structure_string": "Rb1 H1 S1\n1.0\n2.896404 -1.642587 2.733967\n-0.833016 3.223869 2.733967\n-0.317682 -0.243456 6.883559\nRb H S\n1 1 1\ndirect\n0.629820 0.370178 0.000001 Rb\n0.096184 0.903814 0.000001 H\n0.641992 0.358005 0.500002 S\n",
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},
{
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"created_at": "2022-09-04T14:37:00.884436Z",
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"structure_string": "Rb2 H2 S2\n1.0\n0.000000 4.497098 0.029261\n5.151319 0.000000 0.000000\n0.000000 -1.450935 -6.693342\nRb H S\n2 2 2\ndirect\n0.766959 0.750000 0.237764 Rb\n0.233043 0.250000 0.762236 Rb\n0.471835 0.750000 0.602746 H\n0.528166 0.250000 0.397254 H\n0.737863 0.750000 0.740386 S\n0.262139 0.250000 0.259614 S\n",
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},
{
"id": "jvasp-51703",
"created_at": "2022-09-04T14:38:28.564081Z",
"updated_at": "2022-09-04T14:38:28.564119Z",
"structure_string": "Rb6 H10 Pt2\n1.0\n7.684895 0.000000 0.000000\n0.000000 7.684895 -0.000000\n-0.000000 0.000000 5.947541\nRb H Pt\n6 10 2\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.184783 0.684782 0.500000 Rb\n0.815217 0.315217 0.500000 Rb\n0.684782 0.815217 0.500000 Rb\n0.315217 0.184783 0.500000 Rb\n0.109955 0.390044 0.195317 H\n0.890044 0.609955 0.195317 H\n0.609955 0.109955 0.195317 H\n0.390044 0.890044 0.195317 H\n0.890044 0.609955 0.804683 H\n0.609955 0.109955 0.804683 H\n0.390044 0.890044 0.804683 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.109955 0.390044 0.804683 H\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n",
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}