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{
"id": "jvasp-12118",
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"structure_string": "Li1 Ni1 P2 S6\n1.0\n5.638314 -0.000000 1.552463\n2.819157 5.101132 0.776232\n0.113611 -0.000000 6.639160\nLi Ni P S\n1 1 2 6\ndirect\n0.666808 0.666383 -0.000000 Li\n0.334756 0.330488 -0.000000 Ni\n0.058570 0.998633 0.828519 P\n0.942797 0.998633 0.171480 P\n0.407292 0.649603 0.751166 S\n0.105984 0.327366 0.759443 S\n0.566649 0.327366 0.240557 S\n0.943104 0.649603 0.248833 S\n0.244691 0.025962 0.247546 S\n0.729346 0.025962 0.752454 S\n",
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{
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{
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"structure_string": "Dy1 H9 C5 N2 O8\n1.0\n5.329491 3.524659 -1.894219\n-5.329491 3.524659 1.894219\n-0.024666 0.000000 6.533121\nDy H C N O\n1 9 5 2 8\ndirect\n0.998081 0.998081 0.000000 Dy\n0.203316 0.645984 0.398874 H\n0.645983 0.203316 0.601125 H\n0.496724 0.748010 0.525550 H\n0.748010 0.496724 0.474450 H\n0.805092 0.435602 0.892824 H\n0.435602 0.805093 0.107176 H\n0.083944 0.083945 0.500000 H\n0.447984 0.472710 0.821687 H\n0.472710 0.447984 0.178313 H\n0.473757 0.293484 0.298440 C\n0.293484 0.473757 0.701559 C\n0.928322 0.928322 0.500000 C\n0.457314 0.933708 0.955003 C\n0.933708 0.457314 0.044997 C\n0.331999 0.636550 0.528651 N\n0.636550 0.331999 0.471349 N\n0.018690 0.310736 0.130507 O\n0.310735 0.018690 0.869493 O\n0.984760 0.632535 0.122826 O\n0.632535 0.984760 0.877173 O\n0.837732 0.848226 0.668563 O\n0.848226 0.837732 0.331437 O\n0.099253 0.328791 0.732817 O\n0.328790 0.099253 0.267183 O\n",
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"formula_full": "Dy1 H9 C5 N2 O8",
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{
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"updated_at": "2022-09-04T14:36:05.193940Z",
"structure_string": "Nb2 Cl4 O2\n1.0\n0.000000 -3.930469 -0.000000\n-6.195501 1.965234 1.716621\n0.043521 -0.000000 -6.763637\nNb Cl O\n2 4 2\ndirect\n0.963863 0.999401 0.719592 Nb\n0.964462 0.000599 0.280408 Nb\n0.869224 0.726380 0.930281 Cl\n0.142844 0.273620 0.069719 Cl\n0.842084 0.683217 0.416096 Cl\n0.158867 0.316783 0.583905 Cl\n0.491919 0.997172 0.727036 O\n0.494745 0.002828 0.272965 O\n",
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{
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"created_at": "2022-09-04T14:36:06.632225Z",
"updated_at": "2022-09-04T14:36:06.632245Z",
"structure_string": "Cr1 P2 O7\n1.0\n4.993667 0.022139 0.724508\n-0.978261 4.896959 0.724508\n0.001212 0.001485 4.484323\nCr P O\n1 2 7\ndirect\n0.888970 0.111031 0.000000 Cr\n0.332961 0.263265 0.409198 P\n0.736736 0.667040 0.590802 P\n0.850817 0.428191 0.731972 O\n0.141469 0.332183 0.185645 O\n0.188454 0.073958 0.708751 O\n0.667817 0.858532 0.814355 O\n0.448415 0.551586 0.500000 O\n0.926044 0.811546 0.291250 O\n0.571810 0.149184 0.268028 O\n",
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{
"id": "jvasp-43982",
"created_at": "2022-09-04T14:36:09.383725Z",
"updated_at": "2022-09-04T14:36:09.383760Z",
"structure_string": "Mn6 O4 F8\n1.0\n-4.991193 4.991193 3.138563\n-0.227075 4.752514 -3.119848\n-4.752514 0.227075 -3.119848\nMn O F\n6 4 8\ndirect\n0.842800 0.642698 0.669534 Mn\n0.670154 0.350171 0.309479 Mn\n0.329844 0.690521 0.649828 Mn\n0.157199 0.330466 0.357302 Mn\n0.499999 0.981264 0.018736 Mn\n-0.000001 0.986943 0.013056 Mn\n-0.000001 0.685050 0.314950 O\n-0.000001 0.290190 0.709810 O\n0.324959 0.987836 0.364224 O\n0.675039 0.635775 0.012164 O\n0.037034 0.767814 0.775551 F\n0.671705 0.034684 0.621251 F\n0.328293 0.378749 0.965316 F\n0.301965 0.899761 0.898860 F\n0.625127 0.570710 0.558223 F\n0.962963 0.224449 0.232186 F\n0.698032 0.101140 0.100239 F\n0.374870 0.441777 0.429290 F\n",
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{
"id": "jvasp-43554",
"created_at": "2022-09-04T14:36:07.144829Z",
"updated_at": "2022-09-04T14:36:07.144856Z",
"structure_string": "Mn6 O5 F7\n1.0\n-4.503949 4.503949 3.083486\n0.163730 4.690763 -3.117685\n-4.690763 -0.163730 -3.117685\nMn O F\n6 5 7\ndirect\n0.833334 0.675473 0.657858 Mn\n0.679845 0.331470 0.338541 Mn\n0.333334 0.688819 0.644512 Mn\n0.163288 0.299014 0.330326 Mn\n0.503379 0.003006 0.034319 Mn\n0.986822 0.994790 0.001861 Mn\n0.333334 0.974835 0.358497 O\n0.033851 0.783585 0.758532 O\n0.701441 0.094893 0.123725 O\n0.965227 0.209607 0.238440 O\n0.632817 0.574799 0.549746 O\n0.650787 0.033875 0.670147 F\n0.333334 0.390992 0.942341 F\n0.293933 0.919489 0.913667 F\n0.372735 0.419664 0.413842 F\n0.665128 0.630533 0.021373 F\n0.001540 0.311959 0.702799 F\n0.015881 0.663184 0.299458 F\n",
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{
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"structure_string": "B2 C4 N2\n1.0\n4.277244 -0.836559 -0.559129\n-0.658461 4.281994 0.734822\n-0.765139 0.592398 4.148796\nB C N\n2 4 2\ndirect\n0.281095 0.209842 0.197021 B\n0.459829 0.031107 0.552993 B\n0.459076 0.552042 0.031947 C\n0.963936 0.539731 0.548123 C\n0.789737 0.713931 0.201869 C\n0.802045 0.209072 0.718049 C\n0.953791 0.040486 0.036973 N\n0.290489 0.703788 0.713023 N\n",
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{
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"created_at": "2022-09-04T14:36:08.159733Z",
"updated_at": "2022-09-04T14:36:08.159758Z",
"structure_string": "As2 C6 N6\n1.0\n5.613429 0.002836 0.970558\n1.468809 5.417858 0.970558\n0.172629 0.132129 8.604132\nAs C N\n2 6 6\ndirect\n0.299562 0.296930 0.732970 As\n0.703070 0.700439 0.267030 As\n0.966091 0.238315 0.749836 C\n0.899883 0.668329 0.052062 C\n0.331672 0.100118 0.947939 C\n0.761686 0.033909 0.250164 C\n0.443433 0.985609 0.638729 C\n0.014392 0.556567 0.361271 C\n0.539517 0.815951 0.572216 N\n0.368173 0.992394 0.073646 N\n0.778001 0.233137 0.247715 N\n0.766863 0.222000 0.752285 N\n0.007607 0.631828 0.926354 N\n0.184050 0.460483 0.427784 N\n",
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"structure_string": "Li1 Ga1 As2 O7\n1.0\n4.712508 -0.006148 -0.732247\n-0.999712 5.109465 -1.092658\n-0.010023 0.001477 5.319786\nLi Ga As O\n1 1 2 7\ndirect\n0.499999 0.248561 0.751442 Li\n0.500000 0.624433 0.375567 Ga\n0.906107 0.180637 0.251052 As\n0.093896 0.748948 0.819364 As\n0.659938 0.354430 0.139161 O\n0.340063 0.860837 0.645569 O\n0.230445 0.614746 0.060599 O\n0.769558 0.939398 0.385253 O\n0.772731 0.545238 0.660980 O\n0.227269 0.339019 0.454762 O\n0.000001 0.054430 0.945571 O\n",
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{
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"structure_string": "Li5 Ti2 Co5 O12\n1.0\n5.028144 0.007586 -0.001870\n-2.515833 -4.408964 0.010575\n-1.888921 0.059361 -9.548883\nLi Ti Co O\n5 2 5 12\ndirect\n0.332049 0.157523 0.993577 Li\n0.819828 0.148275 0.506137 Li\n0.176076 0.858579 0.503614 Li\n0.918208 0.835455 0.749995 Li\n0.687664 0.868234 0.996904 Li\n0.253422 0.505498 0.750068 Ti\n0.753262 0.506071 0.250120 Ti\n0.405345 0.818896 0.245502 Co\n0.499431 0.504993 0.499583 Co\n0.582794 0.165510 0.750015 Co\n0.100447 0.194361 0.254125 Co\n0.011651 0.515671 0.000705 Co\n0.524004 0.829423 0.633825 O\n0.228748 0.182411 0.633464 O\n0.479573 0.183031 0.369470 O\n0.118542 0.511550 0.377234 O\n0.613640 0.479423 0.864953 O\n0.308660 0.833497 0.866349 O\n0.955561 0.187827 0.866567 O\n0.026986 0.832564 0.128166 O\n0.389283 0.504158 0.122696 O\n0.711182 0.185903 0.131119 O\n0.863652 0.475907 0.635078 O\n0.797228 0.829641 0.370677 O\n",
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"structure_string": "K2 Se6\n1.0\n-0.000000 -5.385399 -0.000000\n8.307272 -2.692700 -4.068385\n4.626407 -2.692700 3.157990\nK Se\n2 6\ndirect\n-0.014296 0.249697 0.610783 K\n0.846183 0.750302 0.389218 K\n0.304262 0.491977 0.737121 Se\n0.533359 0.508023 0.262880 Se\n0.193178 0.863800 0.737036 Se\n0.794013 0.136200 0.262965 Se\n0.266743 0.199341 0.072472 Se\n0.538558 0.800658 -0.072471 Se\n",
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}
]
}