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{
"id": "jvasp-3972",
"created_at": "2022-09-04T14:36:53.319544Z",
"updated_at": "2022-09-04T14:36:53.319563Z",
"structure_string": "Pd1 S2 Cl6\n1.0\n4.393363 -0.102256 -0.072886\n-0.370506 6.624165 -0.030336\n-1.074835 -2.029181 7.858940\nPd S Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.316610 0.245978 0.218698 S\n0.683389 0.754021 0.781301 S\n0.735836 0.804610 0.550267 Cl\n0.313791 0.140285 0.837927 Cl\n0.686208 0.859714 0.162072 Cl\n0.084297 0.504336 0.220308 Cl\n0.915703 0.495663 0.779691 Cl\n0.264164 0.195389 0.449732 Cl\n",
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"structure_string": "Sr2 Nd1 Sm1 Mn4 O12\n1.0\n5.431010 0.003980 0.046999\n0.050797 5.430774 0.046999\n0.006683 0.006626 7.716175\nSr Nd Sm Mn O\n2 1 1 4 12\ndirect\n0.749736 0.749737 0.999739 Sr\n0.249791 0.249792 0.499846 Sr\n0.753474 0.753474 0.504655 Nd\n0.256769 0.256768 0.005670 Sm\n0.250586 0.750748 0.751274 Mn\n0.750382 0.250044 0.249610 Mn\n0.250044 0.750381 0.249610 Mn\n0.750748 0.250586 0.751274 Mn\n0.473859 0.473859 0.724456 O\n0.974559 0.974558 0.222965 O\n0.034387 0.464147 0.240001 O\n0.534230 0.965771 0.742726 O\n0.209040 0.776159 0.499674 O\n0.965771 0.534230 0.742726 O\n0.776159 0.209040 0.499674 O\n0.276501 0.703459 0.999588 O\n0.039815 0.039816 0.790601 O\n0.464147 0.034387 0.240001 O\n0.703458 0.276501 0.999588 O\n0.536543 0.536543 0.286329 O\n",
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"formula_full": "Sr2 Nd1 Sm1 Mn4 O12",
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{
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"created_at": "2022-09-04T14:36:38.199511Z",
"updated_at": "2022-09-04T14:36:38.199533Z",
"structure_string": "Li5 Ni5 Sn2 O12\n1.0\n5.197311 0.201975 -0.137312\n2.450416 4.587842 0.137312\n-0.698943 1.115978 9.816945\nLi Ni Sn O\n5 5 2 12\ndirect\n0.186671 0.680225 0.503359 Li\n0.322117 0.817290 0.992044 Li\n0.680224 0.186671 0.996640 Li\n0.817290 0.322117 0.507955 Li\n0.906921 0.906922 0.750000 Li\n0.087812 0.087812 0.250000 Ni\n0.997717 0.506504 0.995484 Ni\n0.506504 0.997717 0.504516 Ni\n0.419112 0.419112 0.250000 Ni\n0.579652 0.579652 0.750000 Ni\n0.753644 0.753644 0.250000 Sn\n0.246824 0.246824 0.750000 Sn\n0.786756 0.042838 0.372937 O\n0.955385 0.226629 0.875732 O\n0.226628 0.955385 0.624268 O\n0.138288 0.370620 0.368000 O\n0.370619 0.138288 0.132000 O\n0.291570 0.529472 0.872429 O\n0.529472 0.291570 0.627571 O\n0.461832 0.721828 0.371191 O\n0.721828 0.461832 0.128809 O\n0.615861 0.854443 0.869670 O\n0.854442 0.615861 0.630330 O\n0.042838 0.786756 0.127062 O\n",
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"formula_full": "Li5 Ni5 Sn2 O12",
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{
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"created_at": "2022-09-04T14:36:05.114981Z",
"updated_at": "2022-09-04T14:36:05.115010Z",
"structure_string": "Ba4 Rh1 Pb1\n1.0\n-0.000000 4.846043 4.846043\n4.846043 0.000000 4.846043\n4.846043 4.846043 -0.000000\nBa Rh Pb\n4 1 1\ndirect\n0.124204 0.625265 0.625265 Ba\n0.625265 0.625265 0.625265 Ba\n0.625265 0.124204 0.625265 Ba\n0.625265 0.625265 0.124204 Ba\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:17.207677Z",
"updated_at": "2022-09-04T14:38:17.207711Z",
"structure_string": "K2 Tl1 Bi1 F6\n1.0\n5.935221 -0.000000 3.426702\n1.978407 5.595780 3.426702\n-0.000000 -0.000000 6.853403\nK Tl Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 Bi\n0.766961 0.233038 0.233038 F\n0.233039 0.233038 0.766961 F\n0.233039 0.766962 0.766961 F\n0.233039 0.766962 0.233038 F\n0.766961 0.233038 0.766961 F\n0.766962 0.766962 0.233038 F\n",
"nsites": 10,
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"elements": [
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"formula_full": "K2 Tl1 Bi1 F6",
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{
"id": "jvasp-89347",
"created_at": "2022-09-04T14:36:19.419438Z",
"updated_at": "2022-09-04T14:36:19.419457Z",
"structure_string": "Rb2 Na4 Au2 O4\n1.0\n4.084589 0.000000 0.000000\n0.000000 5.647925 -0.000000\n0.000000 0.000000 9.867165\nRb Na Au O\n2 4 2 4\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.073908 0.229002 Na\n0.000000 0.573908 0.270998 Na\n0.500000 0.926093 0.770999 Na\n0.000000 0.426093 0.729002 Na\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.727420 0.341074 O\n0.500000 0.272581 0.658926 O\n0.000000 0.772581 0.841075 O\n0.000000 0.227420 0.158926 O\n",
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"volume": 227.63009257828338,
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"formula_full": "Rb2 Na4 Au2 O4",
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{
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"created_at": "2022-09-04T14:36:19.429522Z",
"updated_at": "2022-09-04T14:36:19.429544Z",
"structure_string": "Ba4 Ta1 Mn1\n1.0\n-0.000000 4.846236 4.846236\n4.846236 -0.000000 4.846236\n4.846236 4.846236 0.000000\nBa Ta Mn\n4 1 1\ndirect\n0.125382 0.624873 0.624873 Ba\n0.624873 0.624873 0.624873 Ba\n0.624873 0.125382 0.624873 Ba\n0.624873 0.624873 0.125382 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Mn\n",
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],
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},
{
"id": "jvasp-12529",
"created_at": "2022-09-04T14:36:48.668293Z",
"updated_at": "2022-09-04T14:36:48.668316Z",
"structure_string": "Rb2 I2 O8\n1.0\n5.484000 0.000050 -2.266680\n-0.936810 5.403466 -2.266664\n-0.024881 -0.029538 7.707209\nRb I O\n2 2 8\ndirect\n0.125004 0.375004 0.250005 Rb\n0.874996 0.624996 0.749996 Rb\n0.625002 0.874998 0.249999 I\n0.374998 0.125002 0.750002 I\n0.574023 0.167934 0.406429 O\n0.238497 0.074028 0.906436 O\n0.667935 0.332405 0.906430 O\n0.832419 0.738501 0.406435 O\n0.167582 0.261499 0.593566 O\n0.332065 0.667595 0.093571 O\n0.761503 0.925973 0.093565 O\n0.425977 0.832067 0.593571 O\n",
"nsites": 12,
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{
"id": "jvasp-9644",
"created_at": "2022-09-04T14:37:27.655693Z",
"updated_at": "2022-09-04T14:37:27.655721Z",
"structure_string": "Bi4 O8\n1.0\n6.585607 0.000220 0.000637\n3.292685 5.897008 -0.518193\n3.292427 1.472268 5.732981\nBi O\n4 8\ndirect\n0.576925 0.500019 0.500008 Bi\n-0.000018 -0.052397 0.552531 Bi\n0.500125 0.052418 0.447452 Bi\n0.422920 -0.000006 -0.000008 Bi\n0.803483 0.173278 0.305907 O\n0.717394 0.805982 0.673272 O\n0.282647 0.826733 0.694078 O\n0.680367 0.833226 0.204650 O\n0.196671 0.194026 0.326704 O\n0.281591 0.704731 0.333364 O\n0.718231 0.166746 0.795378 O\n0.319674 0.295237 0.666669 O\n",
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},
{
"id": "jvasp-56778",
"created_at": "2022-09-04T14:36:50.436923Z",
"updated_at": "2022-09-04T14:36:50.436960Z",
"structure_string": "Nd4 Mg3 Co2\n1.0\n0.000000 7.602847 -0.005063\n3.823153 0.000000 0.000000\n0.000000 -2.801204 -7.830586\nNd Mg Co\n4 3 2\ndirect\n0.603378 0.500000 0.819090 Nd\n0.904427 0.500000 0.275668 Nd\n0.095574 0.500000 0.724332 Nd\n0.396623 0.500000 0.180910 Nd\n0.705030 0.000000 0.497253 Mg\n0.294971 0.000000 0.502747 Mg\n0.000000 0.000000 0.000000 Mg\n0.350267 0.000000 0.893520 Co\n0.649734 0.000000 0.106480 Co\n",
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"structure_string": "Li2 La2 Bi4\n1.0\n4.578323 0.000000 -0.000000\n-0.000000 4.578323 0.000000\n-0.000000 0.000000 10.861380\nLi La Bi\n2 2 4\ndirect\n0.749999 0.250000 0.000000 Li\n0.250000 0.749999 0.000000 Li\n0.749999 0.749999 0.256200 La\n0.250000 0.250000 0.743800 La\n0.749999 0.749999 0.841906 Bi\n0.250000 0.250000 0.158094 Bi\n0.749999 0.250000 0.500000 Bi\n0.250000 0.749999 0.500000 Bi\n",
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{
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"structure_string": "Er6 Co1 Te2\n1.0\n0.000000 0.000000 -3.871248\n-4.120695 -7.137252 0.000000\n-4.119574 7.136605 0.000000\nEr Co Te\n6 1 2\ndirect\n0.500000 0.603903 -0.000000 Er\n0.500000 0.396010 0.396003 Er\n0.500000 0.000006 0.603996 Er\n0.000000 -0.000057 0.234477 Er\n0.000000 0.234543 -0.000000 Er\n0.000000 0.765465 0.765522 Er\n0.500000 0.000239 -0.000000 Co\n0.000000 0.666673 0.333357 Te\n0.000000 0.333316 0.666642 Te\n",
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]
}