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"id": "jvasp-48806",
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"updated_at": "2022-09-04T14:36:05.417352Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n0.000000 4.447063 -0.026703\n4.784250 0.000000 0.000000\n0.000000 -4.276171 -11.435905\nLi V O F\n4 4 4 12\ndirect\n0.956736 0.746576 0.945020 Li\n0.043263 0.253424 0.054980 Li\n0.956736 0.753424 0.445020 Li\n0.043263 0.246576 0.554979 Li\n0.345405 0.275238 0.315264 V\n0.654595 0.724762 0.684735 V\n0.654595 0.775238 0.184736 V\n0.345404 0.224762 0.815264 V\n0.442523 0.435618 0.701801 O\n0.557476 0.935618 0.798198 O\n0.442523 0.064382 0.201801 O\n0.557476 0.564382 0.298198 O\n0.815990 0.907846 0.068445 F\n0.043959 0.572175 0.806449 F\n0.184009 0.092154 0.931555 F\n0.325943 0.586689 0.066873 F\n0.674057 0.086689 0.433127 F\n0.815990 0.592154 0.568444 F\n0.956040 0.072175 0.693550 F\n0.043959 0.927825 0.306449 F\n0.325943 0.913311 0.566873 F\n0.184009 0.407846 0.431555 F\n0.674057 0.413311 0.933127 F\n0.956040 0.427825 0.193550 F\n",
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"structure_string": "Pr4 In2 Pd4\n1.0\n3.915877 -0.000000 0.000000\n-0.000000 7.891371 0.000000\n0.000000 -0.000000 7.891371\nPr In Pd\n4 2 4\ndirect\n0.500000 0.824437 0.324437 Pr\n0.500000 0.675563 0.824437 Pr\n0.500000 0.324437 0.175563 Pr\n0.500000 0.175563 0.675563 Pr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.126506 0.373494 Pd\n0.000000 0.373494 0.873494 Pd\n0.000000 0.626506 0.126506 Pd\n0.000000 0.873494 0.626506 Pd\n",
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"formula_full": "Pr4 In2 Pd4",
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{
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"created_at": "2022-09-04T14:35:58.934468Z",
"updated_at": "2022-09-04T14:35:58.934481Z",
"structure_string": "Np2 Te6\n1.0\n-4.394856 0.000000 0.000000\n0.000000 -0.000000 -4.390883\n2.197428 -12.636939 0.000000\nNp Te\n2 6\ndirect\n0.168677 0.750000 0.337353 Np\n0.831324 0.250000 0.662648 Np\n0.926449 0.750000 0.852899 Te\n0.073551 0.250000 0.147101 Te\n0.573865 0.750000 0.147729 Te\n0.426136 0.250000 0.852271 Te\n0.296290 0.750000 0.592578 Te\n0.703710 0.250000 0.407422 Te\n",
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"volume": 243.85878398209678,
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"formula_full": "Np2 Te6",
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{
"id": "jvasp-101158",
"created_at": "2022-09-04T14:36:43.783129Z",
"updated_at": "2022-09-04T14:36:43.783155Z",
"structure_string": "Mn1 In2 Te4\n1.0\n5.714013 0.029494 -5.106894\n-1.124722 5.602304 -5.106894\n-0.024034 -0.029494 7.663533\nMn In Te\n1 2 4\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.828338 0.385407 0.981803 Te\n0.403604 0.846534 0.018197 Te\n0.153466 0.171663 0.557070 Te\n0.614593 0.596395 0.442931 Te\n",
"nsites": 7,
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{
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"created_at": "2022-09-04T14:38:33.011026Z",
"updated_at": "2022-09-04T14:38:33.011058Z",
"structure_string": "Sr2 Ni8 Sn4\n1.0\n6.442073 0.024926 -2.230795\n-3.258519 5.557245 -2.230795\n-0.014216 -0.024926 6.817370\nSr Ni Sn\n2 8 4\ndirect\n0.750000 0.750000 -0.000001 Sr\n0.250000 0.250000 -0.000000 Sr\n0.526118 0.297777 0.499999 Ni\n0.026119 0.526119 0.228341 Ni\n0.297776 0.797776 0.771656 Ni\n0.797776 0.026119 0.499999 Ni\n0.202222 0.973880 0.499998 Ni\n0.973880 0.473881 0.771656 Ni\n0.473880 0.702222 0.499999 Ni\n0.702223 0.202223 0.228341 Ni\n0.839522 0.660477 0.499999 Sn\n0.660476 0.160477 0.820954 Sn\n0.339522 0.839522 0.179043 Sn\n0.160476 0.339522 0.499999 Sn\n",
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"created_at": "2022-09-04T14:37:28.305169Z",
"updated_at": "2022-09-04T14:37:28.305198Z",
"structure_string": "Bi4 O8\n1.0\n6.659668 -0.005704 -0.008672\n-3.324183 6.198740 -0.006719\n-3.323182 -1.842897 5.918855\nBi O\n4 8\ndirect\n0.499971 0.000020 0.499972 Bi\n0.500070 0.000100 0.000015 Bi\n0.999926 0.999926 0.499975 Bi\n0.000111 0.500015 0.500099 Bi\n0.448632 0.189219 0.708170 O\n0.478523 0.787880 0.712204 O\n0.021543 0.787788 0.712192 O\n0.051262 0.791701 0.310782 O\n0.948669 0.208156 0.689221 O\n0.978436 0.212119 0.287793 O\n0.521645 0.212297 0.287894 O\n0.551220 0.810786 0.291688 O\n",
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{
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"created_at": "2022-09-04T14:37:43.895286Z",
"updated_at": "2022-09-04T14:37:43.895307Z",
"structure_string": "Ca1 Au2 F12\n1.0\n6.070440 0.000000 0.000000\n0.000000 6.070440 0.000000\n0.000000 -0.000000 6.619071\nCa Au F\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.239416 Au\n0.000000 0.500000 0.760584 Au\n0.000000 0.500000 0.053718 F\n0.500000 0.000000 0.946282 F\n0.000000 0.500000 0.470670 F\n0.256064 0.207412 0.227442 F\n0.207412 0.743936 0.772558 F\n0.792588 0.256064 0.772558 F\n0.743936 0.792588 0.227442 F\n0.743936 0.207412 0.227442 F\n0.207412 0.256064 0.772558 F\n0.792588 0.743936 0.772558 F\n0.256064 0.792588 0.227442 F\n0.500000 0.000000 0.529330 F\n",
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"formula_full": "Ca1 Au2 F12",
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{
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"created_at": "2022-09-04T14:38:38.554412Z",
"updated_at": "2022-09-04T14:38:38.554420Z",
"structure_string": "Nd3 Mg3 Tl3\n1.0\n7.720482 0.000000 -0.000000\n-3.860241 6.686133 -0.000000\n-0.000000 -0.000000 4.725377\nNd Mg Tl\n3 3 3\ndirect\n0.575378 0.000000 0.000000 Nd\n-0.000000 0.575378 0.000000 Nd\n0.424622 0.424622 0.000000 Nd\n0.243503 0.000000 0.500000 Mg\n-0.000000 0.243503 0.500000 Mg\n0.756497 0.756497 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
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{
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"created_at": "2022-09-04T14:37:07.497955Z",
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"structure_string": "Pd1 Se6 Br2\n1.0\n4.414857 0.105501 0.180360\n1.134563 6.890934 3.031716\n-0.168814 -0.043935 8.025487\nPd Se Br\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Pd\n0.070110 0.520565 0.763829 Se\n0.929891 0.479434 0.236172 Se\n0.154576 0.726009 0.289143 Se\n0.180543 0.207294 0.490055 Se\n0.819458 0.792705 0.509947 Se\n0.845426 0.273989 0.710858 Se\n0.402085 0.822273 0.872015 Br\n0.597916 0.177726 0.127986 Br\n",
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"structure_string": "Ba4 Hg1 Ge1\n1.0\n0.000000 4.959357 4.959357\n4.959357 0.000000 4.959357\n4.959357 4.959357 0.000000\nBa Hg Ge\n4 1 1\ndirect\n0.127811 0.624064 0.624064 Ba\n0.624064 0.624064 0.624064 Ba\n0.624064 0.127811 0.624064 Ba\n0.624064 0.624064 0.127811 Ba\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Ge\n",
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