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{
"id": "jvasp-89614",
"created_at": "2022-09-04T14:36:04.873737Z",
"updated_at": "2022-09-04T14:36:04.873764Z",
"structure_string": "Na4 Hg4 Cl12\n1.0\n4.113188 0.000000 0.000000\n-0.000000 8.351051 0.000000\n0.000000 0.000000 15.567650\nNa Hg Cl\n4 4 12\ndirect\n0.250000 0.628671 0.097562 Na\n0.750000 0.871329 0.597562 Na\n0.750000 0.371329 0.902438 Na\n0.250000 0.128671 0.402438 Na\n0.250000 0.656635 0.405996 Hg\n0.750000 0.843365 0.905996 Hg\n0.750000 0.343365 0.594004 Hg\n0.250000 0.156635 0.094004 Hg\n0.750000 0.391554 0.085647 Cl\n0.750000 0.349420 0.436481 Cl\n0.250000 0.108446 0.585647 Cl\n0.750000 0.891554 0.414353 Cl\n0.250000 0.650580 0.563519 Cl\n0.750000 0.458481 0.732617 Cl\n0.250000 0.541519 0.267383 Cl\n0.250000 0.608446 0.914353 Cl\n0.750000 0.849419 0.063519 Cl\n0.750000 -0.041519 0.767383 Cl\n0.250000 0.150580 0.936481 Cl\n0.250000 0.041519 0.232617 Cl\n",
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{
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"structure_string": "Ba1 Nb1 Br1\n1.0\n0.000000 3.975575 3.975575\n3.975575 0.000000 3.975575\n3.975575 3.975575 0.000000\nBa Nb Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Nb\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:36:05.589716Z",
"updated_at": "2022-09-04T14:36:05.589736Z",
"structure_string": "Li1 Be1 Se2\n1.0\n-1.727029 1.727029 5.905632\n1.727029 -1.727029 5.905632\n1.727029 1.727029 -5.905632\nLi Be Se\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Li\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Se\n0.250000 0.750000 0.500000 Se\n",
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{
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"created_at": "2022-09-04T14:36:33.639275Z",
"updated_at": "2022-09-04T14:36:33.639303Z",
"structure_string": "Mg1 Rh1 F6\n1.0\n4.438604 0.029082 3.050052\n1.620203 4.132430 3.050053\n0.042341 0.029079 5.385372\nMg Rh F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Rh\n0.387633 0.102645 0.756314 F\n0.102644 0.756314 0.387634 F\n0.243685 0.612366 0.897355 F\n0.897355 0.243685 0.612366 F\n0.612365 0.897355 0.243686 F\n0.756313 0.387633 0.102645 F\n",
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{
"id": "jvasp-53347",
"created_at": "2022-09-04T14:38:19.652245Z",
"updated_at": "2022-09-04T14:38:19.652273Z",
"structure_string": "In4 S6\n1.0\n6.866290 0.042535 -0.019490\n2.269447 6.508719 0.001428\n1.152335 3.246872 5.922660\nIn S\n4 6\ndirect\n0.002176 0.980739 -0.000710 In\n0.502110 0.814769 0.331535 In\n0.498366 0.184957 0.646140 In\n-0.001708 0.665565 0.684708 In\n0.148701 0.600874 0.015412 S\n0.112098 0.986326 0.330164 S\n0.612177 0.151143 0.000665 S\n0.108062 0.301231 0.640121 S\n0.648762 0.451022 0.315418 S\n0.607986 0.776049 0.690710 S\n",
"nsites": 10,
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"formula_full": "In4 S6",
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{
"id": "jvasp-67822",
"created_at": "2022-09-04T14:36:01.000913Z",
"updated_at": "2022-09-04T14:36:01.000944Z",
"structure_string": "K1 Be1 Tc1\n1.0\n-1.559464 1.559464 6.087297\n1.559464 -1.559464 6.087297\n1.559464 1.559464 -6.087297\nK Be Tc\n1 1 1\ndirect\n0.665162 0.665162 0.000000 K\n0.940828 0.940828 0.000000 Be\n0.394011 0.394011 0.000000 Tc\n",
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{
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"created_at": "2022-09-04T14:37:11.623275Z",
"updated_at": "2022-09-04T14:37:11.623311Z",
"structure_string": "Rb8 Sb8\n1.0\n0.000000 7.391770 0.021817\n7.200816 0.000000 0.000000\n0.000000 -5.674561 -12.640012\nRb Sb\n8 8\ndirect\n0.740423 0.829861 0.530825 Rb\n0.259577 0.329861 0.969175 Rb\n0.259577 0.170140 0.469175 Rb\n0.740423 0.670140 0.030825 Rb\n0.283044 0.596597 0.667077 Rb\n0.716955 0.096597 0.832923 Rb\n0.716955 0.403404 0.332923 Rb\n0.283044 0.903404 0.167077 Rb\n0.175457 0.829108 0.874091 Sb\n0.824543 0.329108 0.625908 Sb\n0.824543 0.170892 0.125909 Sb\n0.175457 0.670892 0.374091 Sb\n0.174262 0.096021 0.714731 Sb\n0.825738 0.596021 0.785268 Sb\n0.825738 0.903980 0.285269 Sb\n0.174262 0.403979 0.214731 Sb\n",
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"elements": [
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"volume": 671.8956086879384,
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"formula_full": "Rb8 Sb8",
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{
"id": "jvasp-34417",
"created_at": "2022-09-04T14:38:16.511390Z",
"updated_at": "2022-09-04T14:38:16.511409Z",
"structure_string": "Ba3 Si6 N4 O9\n1.0\n3.654241 -6.329331 0.000000\n3.654241 6.329331 -0.000000\n0.000000 -0.000000 6.838524\nBa Si N O\n3 6 4 9\ndirect\n0.333333 0.666667 0.690989 Ba\n0.000000 0.000000 0.557118 Ba\n0.666667 0.333333 0.748311 Ba\n0.926992 0.378098 0.256657 Si\n0.213534 0.253143 0.043941 Si\n0.746857 0.960391 0.043941 Si\n0.039609 0.786466 0.043941 Si\n0.451106 0.073008 0.256657 Si\n0.621902 0.548894 0.256657 Si\n0.868854 0.575194 0.192895 N\n0.706339 0.131146 0.192895 N\n0.424806 0.293661 0.192895 N\n0.000000 0.000000 0.094666 N\n0.118718 0.411432 0.102669 O\n0.292714 0.881282 0.102669 O\n0.280068 0.287498 0.815846 O\n0.712501 0.992570 0.815846 O\n0.390838 0.013827 0.483586 O\n0.007430 0.719931 0.815846 O\n0.986173 0.377012 0.483586 O\n0.622987 0.609161 0.483586 O\n0.588568 0.707286 0.102669 O\n",
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{
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"created_at": "2022-09-04T14:35:58.612535Z",
"updated_at": "2022-09-04T14:35:58.612562Z",
"structure_string": "Zr1 Be1 Cl2\n1.0\n-1.835789 1.835789 5.145456\n1.835789 -1.835789 5.145456\n1.835789 1.835789 -5.145456\nZr Be Cl\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Zr\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cl\n0.250000 0.750000 0.500000 Cl\n",
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{
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"created_at": "2022-09-04T14:37:09.269525Z",
"updated_at": "2022-09-04T14:37:09.269544Z",
"structure_string": "Ca2 Mo4 O10\n1.0\n3.913150 -0.000000 -0.000000\n-1.956575 5.628314 0.000000\n-0.000000 0.000000 11.481405\nCa Mo O\n2 4 10\ndirect\n0.883266 0.766528 0.750000 Ca\n0.116736 0.233472 0.250000 Ca\n0.190029 0.380058 0.596804 Mo\n0.809973 0.619942 0.403195 Mo\n0.809973 0.619942 0.096805 Mo\n0.190029 0.380058 0.903196 Mo\n0.711473 0.422945 0.250000 O\n0.288528 0.577055 0.750000 O\n0.247630 0.495257 0.071897 O\n0.752373 0.504743 0.928103 O\n0.752373 0.504743 0.571897 O\n0.247630 0.495257 0.428102 O\n0.038079 0.076156 0.619111 O\n0.961922 0.923842 0.380888 O\n0.038079 0.076156 0.880888 O\n0.961922 0.923842 0.119112 O\n",
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{
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"structure_string": "Mg2 Sc4 Se8\n1.0\n-5.586040 -5.586040 -0.000000\n-5.586040 0.000000 -5.586040\n0.000000 -5.586040 -5.586040\nMg Sc Se\n2 4 8\ndirect\n0.375000 0.375000 0.375000 Mg\n0.625000 0.625000 0.625000 Mg\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.242495 0.242495 0.772513 Se\n0.242495 0.772513 0.242495 Se\n0.772513 0.242495 0.242495 Se\n0.242495 0.242495 0.242495 Se\n0.757505 0.757505 0.227487 Se\n0.757505 0.227487 0.757505 Se\n0.227487 0.757505 0.757505 Se\n0.757505 0.757505 0.757505 Se\n",
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}