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{
"id": "jvasp-44490",
"created_at": "2022-09-04T14:37:30.689938Z",
"updated_at": "2022-09-04T14:37:30.689970Z",
"structure_string": "Na4 Sn2 B2 As2 O14\n1.0\n0.000000 5.422206 0.048796\n6.920589 0.000000 0.000000\n0.000000 -0.542739 -9.588416\nNa Sn B As O\n4 2 2 2 14\ndirect\n0.766707 0.490799 0.175554 Na\n0.766707 0.009201 0.175554 Na\n0.233293 0.509201 0.824446 Na\n0.233293 0.990799 0.824446 Na\n0.220823 0.250000 0.341825 Sn\n0.779177 0.750000 0.658175 Sn\n0.285711 0.250000 0.081914 B\n0.714289 0.750000 0.918086 B\n0.266239 0.750000 0.429957 As\n0.733761 0.250000 0.570043 As\n0.523245 0.750000 0.805173 O\n0.822390 0.054306 0.669159 O\n0.822390 0.445694 0.669159 O\n0.137174 0.750000 0.588601 O\n0.413282 0.250000 0.536331 O\n0.586718 0.750000 0.463669 O\n0.051176 0.250000 0.141562 O\n0.177610 0.554306 0.330841 O\n0.177610 0.945694 0.330841 O\n0.476756 0.250000 0.194827 O\n0.948825 0.750000 0.858438 O\n0.671516 0.750000 0.051333 O\n0.862827 0.250000 0.411399 O\n0.328485 0.250000 0.948667 O\n",
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{
"id": "jvasp-40197",
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"structure_string": "Ca6 Sn4 S14\n1.0\n-0.000000 0.000000 -6.915922\n0.000000 -7.083848 0.000000\n-11.790347 3.541923 -0.000000\nCa Sn S\n6 4 14\ndirect\n0.250000 0.201461 0.000000 Ca\n0.750000 0.798539 0.000000 Ca\n0.250000 0.403308 0.370236 Ca\n0.750000 0.966928 0.370236 Ca\n0.750000 0.596693 0.629764 Ca\n0.250000 0.033073 0.629764 Ca\n0.250000 0.841328 0.207950 Sn\n0.750000 0.366623 0.207950 Sn\n0.750000 0.158673 0.792050 Sn\n0.250000 0.633378 0.792050 Sn\n0.500000 0.075531 0.151061 S\n0.000000 0.075531 0.151061 S\n0.000000 0.639062 0.278123 S\n0.500000 0.639062 0.278123 S\n0.000000 0.360939 0.721877 S\n0.500000 0.360939 0.721877 S\n0.750000 0.388214 0.000000 S\n0.750000 0.950335 0.588413 S\n0.750000 0.361921 0.411587 S\n0.250000 0.049666 0.411587 S\n0.000000 0.924470 0.848940 S\n0.250000 0.611786 0.000000 S\n0.250000 0.638080 0.588413 S\n0.500000 0.924470 0.848940 S\n",
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{
"id": "jvasp-35605",
"created_at": "2022-09-04T14:37:35.184652Z",
"updated_at": "2022-09-04T14:37:35.184677Z",
"structure_string": "Zr1 Zn1 F6\n1.0\n-4.064352 -4.064352 -0.000000\n-4.064352 -0.000000 -4.064352\n-0.000000 -4.064352 -4.064352\nZr Zn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zn\n0.750807 0.750807 0.249192 F\n0.249192 0.249192 0.750807 F\n0.750807 0.249192 0.750807 F\n0.249192 0.750807 0.249192 F\n0.249192 0.750807 0.750807 F\n0.750807 0.249192 0.249192 F\n",
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{
"id": "jvasp-66051",
"created_at": "2022-09-04T14:35:40.770361Z",
"updated_at": "2022-09-04T14:35:40.770371Z",
"structure_string": "Ba1 Ca1 Se1\n1.0\n0.000000 3.991685 3.991685\n3.991685 0.000000 3.991685\n3.991685 3.991685 0.000000\nBa Ca Se\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Se\n",
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{
"id": "jvasp-107867",
"created_at": "2022-09-04T14:36:37.239448Z",
"updated_at": "2022-09-04T14:36:37.239467Z",
"structure_string": "Rb3 Au1 Cl6\n1.0\n6.721061 -0.000000 3.880406\n2.240354 6.336677 3.880406\n-0.000000 -0.000000 7.760813\nRb Au Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.772271 0.227729 0.227730 Cl\n0.227729 0.227729 0.772271 Cl\n0.227729 0.772271 0.772271 Cl\n0.227729 0.772271 0.227730 Cl\n0.772271 0.227729 0.772271 Cl\n0.772270 0.772271 0.227730 Cl\n",
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{
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"created_at": "2022-09-04T14:36:53.383789Z",
"updated_at": "2022-09-04T14:36:53.383813Z",
"structure_string": "Rb2 Tl1 Sb1 Cl6\n1.0\n6.865110 -0.000000 3.963573\n2.288370 6.472488 3.963573\n-0.000000 -0.000000 7.927147\nRb Tl Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.763816 0.236184 0.236184 Cl\n0.236184 0.236184 0.763816 Cl\n0.236184 0.763816 0.763815 Cl\n0.236184 0.763816 0.236184 Cl\n0.763816 0.236184 0.763816 Cl\n0.763815 0.763816 0.236184 Cl\n",
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"formula_full": "Rb2 Tl1 Sb1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-36192",
"created_at": "2022-09-04T14:37:20.121388Z",
"updated_at": "2022-09-04T14:37:20.121410Z",
"structure_string": "B1 C2 N1\n1.0\n2.568279 0.000000 0.000000\n0.000000 2.568279 0.000000\n0.000000 -0.000000 3.674545\nB C N\n1 2 1\ndirect\n0.500000 0.500000 0.500001 B\n0.000000 0.500000 0.248089 C\n0.500000 0.000000 0.751913 C\n0.000000 0.000000 0.000000 N\n",
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{
"id": "jvasp-34946",
"created_at": "2022-09-04T14:38:29.250598Z",
"updated_at": "2022-09-04T14:38:29.250626Z",
"structure_string": "Rb2 H2 F4\n1.0\n4.953743 0.008803 -2.358846\n-2.981101 4.541531 -0.768991\n0.005779 -0.008803 5.486683\nRb H F\n2 2 4\ndirect\n0.000000 0.750000 0.750000 Rb\n0.000000 0.250000 0.250000 Rb\n0.499999 0.500000 -0.000001 H\n0.500000 -0.000000 0.499999 H\n0.221946 0.360974 0.860973 F\n0.500000 0.860973 0.639026 F\n0.778054 0.639026 0.139026 F\n0.500000 0.139027 0.360973 F\n",
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},
{
"id": "jvasp-53171",
"created_at": "2022-09-04T14:38:07.697086Z",
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"structure_string": "Rb2 H2 F4\n1.0\n4.955124 0.001966 -2.356281\n-2.975231 4.544181 -0.776998\n-0.000871 -0.001966 5.486830\nRb H F\n2 2 4\ndirect\n0.138743 0.388743 0.250000 Rb\n0.138742 0.888742 0.749999 Rb\n0.638780 0.638758 0.000023 H\n0.638735 0.138758 0.499977 H\n0.916804 0.277838 0.638966 F\n0.638871 0.777838 0.861034 F\n0.638673 0.499663 0.139010 F\n0.360652 -0.000338 0.360990 F\n",
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{
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"created_at": "2022-09-04T14:36:01.283460Z",
"updated_at": "2022-09-04T14:36:01.283479Z",
"structure_string": "Ag4 C4 N12 O8\n1.0\n5.568441 -0.000000 0.000000\n-0.000000 5.682442 0.000000\n0.000000 0.000000 12.166282\nAg C N O\n4 4 12 8\ndirect\n0.515281 0.250000 0.727421 Ag\n0.515281 0.750000 0.772579 Ag\n0.484719 0.750000 0.272579 Ag\n0.484719 0.250000 0.227421 Ag\n0.678276 0.750000 0.019647 C\n0.321724 0.750000 0.519647 C\n0.321724 0.250000 0.980353 C\n0.678276 0.250000 0.480353 C\n0.258915 0.250000 0.084389 N\n0.602226 0.750000 0.109073 N\n0.397774 0.750000 0.609073 N\n0.987307 0.750000 0.898604 N\n0.741085 0.250000 0.584389 N\n0.258915 0.750000 0.415611 N\n0.012692 0.250000 0.101396 N\n0.987307 0.250000 0.601396 N\n0.012692 0.750000 0.398604 N\n0.741085 0.750000 0.915611 N\n0.397774 0.250000 0.890927 N\n0.602226 0.250000 0.390927 N\n0.873575 0.250000 0.020931 O\n0.126425 0.750000 0.979069 O\n0.051630 0.750000 0.800281 O\n-0.051630 0.750000 0.300281 O\n-0.051630 0.250000 0.199719 O\n0.873575 0.750000 0.479069 O\n0.126425 0.250000 0.520931 O\n0.051630 0.250000 0.699719 O\n",
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{
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"structure_string": "Na5 Zr2 F13\n1.0\n5.526555 0.000000 -0.000000\n-2.763278 5.772344 -0.736705\n-0.000000 0.014628 8.468564\nNa Zr F\n5 2 13\ndirect\n0.336517 0.673035 0.071868 Na\n0.777787 0.555574 0.345397 Na\n0.500000 0.000000 0.500000 Na\n0.222213 0.444426 0.654602 Na\n0.663483 0.326965 0.928131 Na\n0.926686 0.853370 0.755192 Zr\n0.073315 0.146629 0.244807 Zr\n0.177026 0.875316 0.250885 F\n0.907108 0.268060 0.431336 F\n0.360953 0.268060 0.431336 F\n0.639047 0.731939 0.568663 F\n0.056789 0.636080 0.856998 F\n0.943211 0.363919 0.143001 F\n0.301709 0.124683 0.749114 F\n0.092892 0.731939 0.568663 F\n0.822975 0.124683 0.749114 F\n0.698291 0.875316 0.250885 F\n0.420709 0.363919 0.143001 F\n0.579291 0.636080 0.856998 F\n0.000000 0.000000 0.000000 F\n",
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{
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"structure_string": "Li4 V4 F14\n1.0\n4.959768 -0.326469 0.460855\n-0.280649 4.962572 -0.460855\n3.303127 -3.333776 10.652216\nLi V F\n4 4 14\ndirect\n0.250187 0.146300 0.487255 Li\n0.646301 0.750186 0.012745 Li\n0.353700 0.249812 0.987255 Li\n0.749813 0.853698 0.512745 Li\n0.028166 0.994604 0.245448 V\n0.494605 0.528166 0.254552 V\n0.505395 0.471833 0.745448 V\n0.971834 0.005395 0.754552 V\n0.693309 0.366144 0.871325 F\n0.779744 0.686014 0.628178 F\n0.814603 0.314602 0.250000 F\n0.813985 0.720256 0.128178 F\n0.355776 0.102154 0.624403 F\n0.644224 0.897844 0.375597 F\n0.306691 0.633854 0.128675 F\n0.185397 0.685396 0.750000 F\n0.220257 0.313984 0.371822 F\n0.602155 0.855775 0.875597 F\n0.397846 0.144224 0.124403 F\n0.133855 0.806690 0.371325 F\n0.186016 0.279743 0.871822 F\n0.866145 0.193308 0.628676 F\n",
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}
]
}