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{
"id": "jvasp-3297",
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"structure_string": "K3 Ag3 As2\n1.0\n5.531833 -0.005400 5.620430\n2.298446 5.031734 5.620430\n-0.008413 -0.005400 7.886085\nK Ag As\n3 3 2\ndirect\n0.089941 0.089941 0.089941 K\n0.910060 0.910058 0.910058 K\n0.500001 0.500000 0.500000 K\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000001 0.500000 0.499999 Ag\n0.756634 0.756632 0.756632 As\n0.243367 0.243367 0.243367 As\n",
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{
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"structure_string": "Li1 Sb3 P2 O10\n1.0\n-5.316160 0.463483 -0.178509\n0.049107 -6.817914 -0.266280\n2.377901 2.541345 6.260107\nLi Sb P O\n1 3 2 10\ndirect\n0.920151 0.395621 0.892078 Li\n0.553950 0.470358 0.332097 Sb\n-0.076725 -0.001211 0.047798 Sb\n0.366378 0.133820 0.780958 Sb\n0.621613 0.988430 0.387947 P\n0.316716 0.577295 0.721206 P\n0.734765 0.062988 0.640269 O\n0.480220 0.825303 0.864170 O\n0.452065 0.747608 0.258667 O\n0.263439 0.518868 0.475228 O\n0.048590 0.534884 0.744078 O\n0.238146 0.294277 0.035067 O\n0.732358 0.240529 0.046155 O\n0.517829 0.446168 0.804709 O\n0.879347 0.020035 0.330564 O\n0.435455 0.134606 0.326911 O\n",
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{
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"created_at": "2022-09-04T14:35:58.859544Z",
"updated_at": "2022-09-04T14:35:58.859570Z",
"structure_string": "Ba4 Nb1 Ru1\n1.0\n-0.000000 4.791092 4.791092\n4.791092 -0.000000 4.791092\n4.791092 4.791092 0.000000\nBa Nb Ru\n4 1 1\ndirect\n0.123474 0.625508 0.625508 Ba\n0.625508 0.625508 0.625508 Ba\n0.625508 0.123474 0.625508 Ba\n0.625508 0.625508 0.123474 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Ru\n",
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{
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"created_at": "2022-09-04T14:38:33.268985Z",
"updated_at": "2022-09-04T14:38:33.269000Z",
"structure_string": "Er4 Pd4 Pb2\n1.0\n7.836469 -0.000000 0.000000\n-0.000000 7.836469 0.000000\n-0.000000 0.000000 3.581748\nEr Pd Pb\n4 4 2\ndirect\n0.670145 0.170145 0.500000 Er\n0.170145 0.329855 0.500000 Er\n0.829855 0.670145 0.500000 Er\n0.329855 0.829855 0.500000 Er\n0.373983 0.126017 0.000000 Pd\n0.126017 0.626017 0.000000 Pd\n0.626017 0.873983 0.000000 Pd\n0.873983 0.373983 0.000000 Pd\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:38.643208Z",
"updated_at": "2022-09-04T14:38:38.643232Z",
"structure_string": "Zr3 Co1 Se6\n1.0\n5.758587 -0.007854 4.192537\n2.129306 5.350461 4.192537\n-0.011596 -0.007854 7.123099\nZr Co Se\n3 1 6\ndirect\n0.500000 0.500001 0.500000 Zr\n0.167688 0.167688 0.167688 Zr\n0.832313 0.832314 0.832313 Zr\n0.000000 0.000000 0.000000 Co\n0.922253 0.592646 0.256096 Se\n0.256096 0.922253 0.592646 Se\n0.592645 0.256097 0.922252 Se\n0.407355 0.743904 0.077748 Se\n0.743904 0.077749 0.407354 Se\n0.077747 0.407355 0.743904 Se\n",
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"formula_full": "Zr3 Co1 Se6",
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{
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"created_at": "2022-09-04T14:36:12.859574Z",
"updated_at": "2022-09-04T14:36:12.859599Z",
"structure_string": "Ba4 Hf1 Nb1\n1.0\n0.000000 4.791374 4.791374\n4.791374 0.000000 4.791374\n4.791374 4.791374 0.000000\nBa Hf Nb\n4 1 1\ndirect\n0.124520 0.625159 0.625159 Ba\n0.625159 0.625159 0.625159 Ba\n0.625159 0.124520 0.625159 Ba\n0.625159 0.625159 0.124520 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Nb\n",
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"spacegroup": 216
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{
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"created_at": "2022-09-04T14:37:08.693861Z",
"updated_at": "2022-09-04T14:37:08.693889Z",
"structure_string": "Er4 Al6 Co2\n1.0\n2.734245 -4.735851 0.000000\n2.734245 4.735851 0.000000\n-0.000000 0.000000 8.494736\nEr Al Co\n4 6 2\ndirect\n0.333332 0.666666 0.555884 Er\n0.666666 0.333332 0.055884 Er\n0.666666 0.333332 0.444116 Er\n0.333332 0.666666 0.944116 Er\n0.324257 0.162129 0.750000 Al\n0.162129 0.324257 0.250000 Al\n0.162129 0.837870 0.250000 Al\n0.837870 0.162129 0.750000 Al\n0.675741 0.837869 0.250000 Al\n0.837869 0.675741 0.750000 Al\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
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"created_at": "2022-09-04T14:37:28.277936Z",
"updated_at": "2022-09-04T14:37:28.277946Z",
"structure_string": "Li14 P2 N6 O3\n1.0\n2.822296 -4.888360 -0.000000\n2.822296 4.888360 0.000000\n-0.000000 0.000000 7.973322\nLi P N O\n14 2 6 3\ndirect\n0.377681 0.082186 0.091063 Li\n0.000000 0.000000 0.750585 Li\n0.353797 0.305690 0.410751 Li\n0.694311 0.048108 0.410751 Li\n0.951894 0.646205 0.410751 Li\n0.646205 0.694312 0.589249 Li\n0.305690 0.951894 0.589249 Li\n0.000000 0.000000 0.249415 Li\n0.082186 0.704505 0.908937 Li\n0.295496 0.377681 0.908937 Li\n0.622320 0.917816 0.908937 Li\n0.917815 0.295496 0.091063 Li\n0.704506 0.622320 0.091063 Li\n0.048107 0.353797 0.589249 Li\n0.666668 0.333334 0.772838 P\n0.333334 0.666668 0.227162 P\n0.068824 0.693599 0.174647 N\n0.306402 0.375225 0.174647 N\n0.624776 0.931178 0.174647 N\n0.375225 0.068824 0.825353 N\n0.693600 0.624776 0.825353 N\n0.931177 0.306402 0.825353 N\n0.333334 0.666668 0.449374 O\n0.666668 0.333334 0.550625 O\n0.000000 0.000000 0.500000 O\n",
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"created_at": "2022-09-04T14:36:48.077046Z",
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"structure_string": "Tc4 S8\n1.0\n6.419970 0.001940 -0.009854\n3.149870 5.706772 0.034977\n1.585691 2.551710 6.021396\nTc S\n4 8\ndirect\n0.511500 0.285377 0.502457 Tc\n0.488500 0.714622 0.497545 Tc\n0.938183 0.308500 0.509095 Tc\n0.061817 0.691499 0.490907 Tc\n0.321262 0.185127 0.302904 S\n0.678738 0.814872 0.697097 S\n0.857338 0.169853 0.276573 S\n0.142662 0.830146 0.723429 S\n0.361335 0.690045 0.212587 S\n0.638665 0.309954 0.787415 S\n0.824443 0.718166 0.240509 S\n0.175557 0.281832 0.759493 S\n",
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{
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"created_at": "2022-09-04T14:37:58.821554Z",
"updated_at": "2022-09-04T14:37:58.821587Z",
"structure_string": "Sn2 Br4\n1.0\n7.037013 0.000000 0.000000\n-0.000000 7.037013 0.000000\n0.000000 0.000000 4.443051\nSn Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.298374 0.298374 0.000000 Br\n0.701625 0.701625 0.000000 Br\n0.201625 0.798374 0.500000 Br\n0.798374 0.201625 0.500000 Br\n",
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{
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"structure_string": "Cd1 H14 C9 O4\n1.0\n3.950046 0.107478 0.569214\n1.156631 4.384021 0.165822\n0.045335 0.076126 12.803862\nCd H C O\n1 14 9 4\ndirect\n0.884156 0.501441 0.166231 Cd\n0.890091 0.080028 0.605938 H\n0.426141 0.492643 0.837430 H\n0.042187 0.408254 0.899902 H\n0.313207 0.521575 0.646070 H\n0.881857 0.543495 0.707408 H\n0.895257 0.406591 0.527604 H\n0.545248 0.875770 0.555616 H\n0.687422 0.851857 0.893647 H\n0.125674 0.918974 0.017006 H\n0.537279 0.002717 0.724404 H\n0.105319 -0.001943 0.775476 H\n0.540134 0.649050 0.399132 H\n0.088680 0.753283 0.447549 H\n0.538693 0.187518 0.468458 H\n0.615224 0.154151 0.018893 C\n0.533255 0.073751 0.927198 C\n0.308423 0.300815 0.857887 C\n0.275661 0.151510 0.756103 C\n0.379446 0.039850 0.505368 C\n0.054268 0.230644 0.575841 C\n0.310780 0.847868 0.418891 C\n0.228234 0.011448 0.316049 C\n0.130395 0.381863 0.671426 C\n0.897787 0.957171 0.065718 O\n0.364769 0.874163 0.228988 O\n0.010642 0.282353 0.320176 O\n0.465488 0.408131 0.073417 O\n",
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}