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{
"id": "jvasp-9666",
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"structure_string": "Ti4 Zn4 O8\n1.0\n2.896350 0.159485 -0.004940\n-1.021061 7.500881 -0.126574\n-1.507202 -1.015844 8.328503\nTi Zn O\n4 4 8\ndirect\n0.102832 0.708234 0.587557 Ti\n0.358599 0.565968 0.252425 Ti\n0.665478 0.454117 0.775777 Ti\n0.921290 0.311842 0.440651 Ti\n0.795720 0.937213 0.296888 Zn\n0.228276 0.082864 0.731294 Zn\n0.383632 0.157744 0.066999 Zn\n0.640215 0.862359 0.961204 Zn\n0.499183 0.258383 0.597803 O\n0.226625 0.638821 0.815778 O\n0.797471 0.381262 0.212428 O\n0.524946 0.761685 0.430406 O\n0.696351 0.897395 0.713941 O\n0.837994 0.710119 0.152148 O\n0.327689 0.122681 0.314263 O\n0.186097 0.309975 0.876054 O\n",
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{
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"structure_string": "Ta4 Ni4 B8\n1.0\n3.109897 -0.000000 0.000000\n-0.000000 6.071697 0.000000\n0.000000 0.000000 8.210696\nTa Ni B\n4 4 8\ndirect\n0.250000 0.631874 0.633155 Ta\n0.750001 0.368126 0.366845 Ta\n0.250000 0.131874 0.866846 Ta\n0.750001 0.868126 0.133155 Ta\n0.750001 0.995897 0.616934 Ni\n0.750001 0.495897 0.883067 Ni\n0.250000 0.004104 0.383066 Ni\n0.250000 0.504104 0.116934 Ni\n0.250000 0.673993 0.333897 B\n0.750001 0.326007 0.666104 B\n0.250000 0.173993 0.166104 B\n0.750001 0.826007 0.833897 B\n0.250000 0.743529 0.924224 B\n0.750001 0.756472 0.424224 B\n0.250000 0.243528 0.575776 B\n0.750001 0.256472 0.075776 B\n",
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{
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"created_at": "2022-09-04T14:37:49.646889Z",
"updated_at": "2022-09-04T14:37:49.646914Z",
"structure_string": "K2 Ti2 P2 S10\n1.0\n6.273909 0.001589 -0.812425\n-0.343538 6.583012 -2.640069\n0.001493 -0.021940 9.494851\nK Ti P S\n2 2 2 10\ndirect\n0.729919 0.229700 0.459401 K\n0.270080 0.770300 0.540599 K\n0.500000 0.777469 0.000000 Ti\n0.500000 0.222530 0.000000 Ti\n0.715627 0.634063 0.268127 P\n0.284372 0.365937 0.731873 P\n0.163600 0.648560 0.828528 S\n0.239148 0.251174 0.502349 S\n0.836399 0.351440 0.171472 S\n0.392960 0.586465 0.172930 S\n0.836399 0.820032 0.171472 S\n0.326009 0.063263 0.126527 S\n0.673990 0.936737 0.873474 S\n0.607040 0.413535 0.827070 S\n0.163600 0.179968 0.828529 S\n0.760851 0.748826 0.497651 S\n",
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{
"id": "jvasp-20815",
"created_at": "2022-09-04T14:37:49.841714Z",
"updated_at": "2022-09-04T14:37:49.841740Z",
"structure_string": "La2 Pd6 S8\n1.0\n6.790123 -0.000000 0.000000\n0.000000 6.790123 -0.000000\n0.000000 -0.000000 6.790123\nLa Pd S\n2 6 8\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.750000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.000000 0.500000 0.750000 Pd\n0.000000 0.500000 0.250000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 S\n0.250000 0.250000 0.750000 S\n0.250000 0.750000 0.250000 S\n0.750000 0.750000 0.750000 S\n0.250000 0.750000 0.750000 S\n0.750000 0.750000 0.250000 S\n0.250000 0.250000 0.250000 S\n0.750000 0.250000 0.750000 S\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:37:41.605584Z",
"updated_at": "2022-09-04T14:37:41.605609Z",
"structure_string": "Ba6 Sn10\n1.0\n7.167747 0.002738 -0.000000\n-1.423495 7.024975 0.000000\n-0.000000 -0.000000 11.229393\nBa Sn\n6 10\ndirect\n0.706351 0.293649 0.500000 Ba\n0.293648 0.706351 0.000000 Ba\n0.293648 0.706351 0.500000 Ba\n0.706351 0.293649 0.000000 Ba\n0.853696 0.853696 0.750000 Ba\n0.146304 0.146304 0.250000 Ba\n0.804785 0.804785 0.440315 Sn\n0.195215 0.195215 0.940315 Sn\n0.804785 0.804785 0.059684 Sn\n0.195215 0.195215 0.559684 Sn\n0.020150 0.407677 0.750000 Sn\n0.979850 0.592323 0.250000 Sn\n0.547251 0.547251 0.250000 Sn\n0.452749 0.452748 0.750000 Sn\n0.592323 0.979850 0.250000 Sn\n0.407677 0.020150 0.750000 Sn\n",
"nsites": 16,
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{
"id": "jvasp-59640",
"created_at": "2022-09-04T14:37:41.379134Z",
"updated_at": "2022-09-04T14:37:41.379155Z",
"structure_string": "U4 W4 C8\n1.0\n3.971412 -0.000000 0.000000\n-0.000000 5.241778 0.000000\n0.000000 0.000000 10.627261\nU W C\n4 4 8\ndirect\n0.250000 0.622966 0.627057 U\n0.750000 0.377034 0.372943 U\n0.250000 0.122966 0.872943 U\n0.750000 0.877034 0.127057 U\n0.250000 0.900845 0.389687 W\n0.750000 0.099155 0.610313 W\n0.250000 0.400845 0.110313 W\n0.750000 0.599156 0.889687 W\n0.750000 0.362053 0.156924 C\n0.250000 0.637948 0.843076 C\n0.750000 0.862053 0.343076 C\n0.250000 0.137948 0.656924 C\n0.750000 0.273097 0.012570 C\n0.250000 0.726904 0.987430 C\n0.750000 0.773097 0.487430 C\n0.250000 0.226903 0.512570 C\n",
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{
"id": "jvasp-23530",
"created_at": "2022-09-04T14:37:38.230339Z",
"updated_at": "2022-09-04T14:37:38.230350Z",
"structure_string": "Hf10 Sn6\n1.0\n4.210545 -7.292880 -0.000000\n4.210545 7.292880 -0.000000\n-0.000000 -0.000000 5.711113\nHf Sn\n10 6\ndirect\n0.666668 0.333334 0.000000 Hf\n0.333334 0.666668 0.500000 Hf\n0.333334 0.666668 0.000000 Hf\n0.666668 0.333334 0.500000 Hf\n0.756734 0.000000 0.250000 Hf\n0.000000 0.243267 0.750000 Hf\n0.756734 0.756734 0.750000 Hf\n0.243267 0.243267 0.250000 Hf\n0.000000 0.756734 0.250000 Hf\n0.243267 0.000000 0.750000 Hf\n0.392320 0.000000 0.250000 Sn\n0.000000 0.607681 0.750000 Sn\n0.392320 0.392320 0.750000 Sn\n0.607681 0.607681 0.250000 Sn\n0.000000 0.392320 0.250000 Sn\n0.607681 0.000000 0.750000 Sn\n",
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{
"id": "jvasp-58434",
"created_at": "2022-09-04T14:37:50.802067Z",
"updated_at": "2022-09-04T14:37:50.802084Z",
"structure_string": "Al4 Si2 O10\n1.0\n3.554431 0.000000 0.000000\n-1.777216 4.641022 0.000000\n0.000000 -0.000000 9.181571\nAl Si O\n4 2 10\ndirect\n0.135061 0.270121 0.432554 Al\n0.864938 0.729879 0.567446 Al\n0.135061 0.270121 0.067446 Al\n0.864938 0.729879 0.932554 Al\n0.183773 0.367547 0.750000 Si\n0.816225 0.632452 0.250000 Si\n0.312687 0.625375 0.589453 O\n0.687312 0.374624 0.410547 O\n0.687312 0.374624 0.089453 O\n0.312687 0.625375 0.910547 O\n0.054916 0.109834 0.617881 O\n0.945082 0.890166 0.382119 O\n0.739613 0.479228 0.750000 O\n0.260385 0.520772 0.250000 O\n0.054916 0.109834 0.882119 O\n0.945082 0.890166 0.117881 O\n",
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"formula_full": "Al4 Si2 O10",
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{
"id": "jvasp-14038",
"created_at": "2022-09-04T14:37:50.548780Z",
"updated_at": "2022-09-04T14:37:50.548790Z",
"structure_string": "Hg8 I4 O4\n1.0\n6.595530 -0.001466 -1.259718\n-0.498380 6.580160 -2.617035\n0.031764 0.028071 9.692941\nHg I O\n8 4 4\ndirect\n0.222877 0.088600 0.852996 Hg\n0.277122 0.235605 0.147004 Hg\n0.777122 0.911399 0.147004 Hg\n0.722877 0.764394 0.852996 Hg\n0.228145 0.147594 0.495088 Hg\n0.271855 0.652506 0.504912 Hg\n0.771855 0.852405 0.504912 Hg\n0.728145 0.347493 0.495088 Hg\n0.314369 0.780819 0.222390 I\n0.185630 0.558429 0.777610 I\n0.685630 0.219181 0.777610 I\n0.814369 0.441570 0.222390 I\n0.162589 0.947926 0.606620 O\n0.337411 0.341307 0.393381 O\n0.837411 0.052073 0.393380 O\n0.662589 0.658692 0.606619 O\n",
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{
"id": "jvasp-56966",
"created_at": "2022-09-04T14:37:38.162123Z",
"updated_at": "2022-09-04T14:37:38.162148Z",
"structure_string": "Nb10 Si6\n1.0\n4.820736 -0.000000 1.725823\n2.410367 7.154147 0.862912\n-0.000952 -0.000000 7.598441\nNb Si\n10 6\ndirect\n0.576143 0.704040 0.143675 Nb\n0.719819 0.856325 0.704038 Nb\n0.423858 0.295961 0.856324 Nb\n0.250001 0.500000 0.500000 Nb\n0.923859 0.856325 0.295960 Nb\n0.780183 0.295961 0.143675 Nb\n0.280182 0.143676 0.295960 Nb\n0.076143 0.143676 0.704039 Nb\n0.219819 0.704040 0.856324 Nb\n0.750001 0.500000 0.499999 Nb\n0.164743 0.500000 0.170515 Si\n0.250000 0.000000 -0.000000 Si\n0.750001 0.000000 -0.000000 Si\n0.664743 0.170516 0.499999 Si\n0.335259 0.829485 0.499999 Si\n0.835259 0.500000 0.829484 Si\n",
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{
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"updated_at": "2022-09-04T14:37:50.616595Z",
"structure_string": "Hf10 Ga6\n1.0\n3.986136 -6.904190 0.000000\n3.986136 6.904190 -0.000000\n-0.000000 -0.000000 5.662972\nHf Ga\n10 6\ndirect\n0.333334 0.666668 0.000000 Hf\n0.666668 0.333334 0.500000 Hf\n0.666668 0.333334 0.000000 Hf\n0.333334 0.666668 0.500000 Hf\n0.240790 0.000000 0.250000 Hf\n0.240790 0.240790 0.750000 Hf\n0.000000 0.759211 0.750000 Hf\n0.000000 0.240790 0.250000 Hf\n0.759211 0.759211 0.250000 Hf\n0.759211 0.000000 0.750000 Hf\n0.607545 0.000000 0.250000 Ga\n0.607545 0.607545 0.750000 Ga\n0.000000 0.392455 0.750000 Ga\n0.000000 0.607545 0.250000 Ga\n0.392456 0.392456 0.250000 Ga\n0.392455 0.000000 0.750000 Ga\n",
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"volume": 311.7017613709905,
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"formula_full": "Hf10 Ga6",
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{
"id": "jvasp-88840",
"created_at": "2022-09-04T14:37:41.475246Z",
"updated_at": "2022-09-04T14:37:41.475272Z",
"structure_string": "Cu4 Sb4 Se8\n1.0\n4.034973 0.000000 0.000000\n0.000000 6.442853 0.000000\n0.000000 0.000000 15.081942\nCu Sb Se\n4 4 8\ndirect\n0.749999 0.749287 0.171796 Cu\n0.250000 0.250713 0.828204 Cu\n0.749999 0.249287 0.328204 Cu\n0.250000 0.750712 0.671796 Cu\n0.749999 0.771616 0.941377 Sb\n0.250000 0.728383 0.441377 Sb\n0.749999 0.271616 0.558623 Sb\n0.250000 0.228384 0.058623 Sb\n0.250000 0.375659 0.675582 Se\n0.749999 0.372056 0.903257 Se\n0.749999 0.624341 0.324418 Se\n0.250000 0.875658 0.824418 Se\n0.749999 0.872055 0.596743 Se\n0.250000 0.627944 0.096743 Se\n0.250000 0.127944 0.403257 Se\n0.749999 0.124341 0.175582 Se\n",
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}
]
}