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{
"id": "jvasp-1864",
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"structure_string": "Na1 Ni1 O2\n1.0\n2.766856 -0.000000 0.745884\n1.288786 2.680214 0.724012\n0.022551 0.019675 5.421111\nNa Ni O\n1 1 2\ndirect\n0.500001 0.499999 0.499998 Na\n0.000000 0.000000 0.000000 Ni\n0.285913 0.231960 0.196215 O\n0.714087 0.768042 0.803783 O\n",
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{
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"structure_string": "Mn2 Cd3 O5\n1.0\n4.674940 0.000007 0.000015\n-2.337341 -5.134697 -0.017905\n-2.337445 0.000199 -5.221551\nMn Cd O\n2 3 5\ndirect\n0.002076 0.004862 -0.000011 Mn\n0.600766 0.398058 0.804090 Mn\n0.801123 0.201453 0.402021 Cd\n0.403885 0.609209 0.199782 Cd\n0.198375 0.793706 0.604264 Cd\n0.300918 0.201410 0.401928 O\n0.898102 0.626655 0.171032 O\n0.509842 0.030888 0.991473 O\n0.703868 0.776210 0.633011 O\n0.090902 0.372030 0.812532 O\n",
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{
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"updated_at": "2022-09-04T14:35:49.346783Z",
"structure_string": "Ce6 O9\n1.0\n3.696850 0.000000 0.000000\n-1.848425 7.048734 -1.241473\n0.000000 0.016331 8.961683\nCe O\n6 9\ndirect\n0.366413 0.732826 0.511460 Ce\n0.312136 0.624271 0.861068 Ce\n0.633588 0.267174 0.488540 Ce\n0.034345 0.068689 0.813419 Ce\n0.965656 0.931310 0.186581 Ce\n0.687865 0.375729 0.138932 Ce\n0.796678 0.593354 0.372986 O\n0.128020 0.256040 0.285352 O\n0.527372 0.054746 0.657498 O\n0.203323 0.406646 0.627014 O\n0.176714 0.353428 0.972149 O\n0.823287 0.646572 0.027851 O\n0.472629 0.945254 0.342502 O\n0.500000 -0.000000 -0.000000 O\n0.871981 0.743959 0.714648 O\n",
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"formula_full": "Ce6 O9",
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{
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"updated_at": "2022-09-04T14:35:49.374131Z",
"structure_string": "Mg1 Br2 O2\n1.0\n0.316804 0.000000 -4.090891\n-3.462008 -3.299404 0.849382\n-3.462008 3.299404 0.849382\nMg Br O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.641156 0.277261 0.277261 Br\n0.358845 0.722740 0.722740 Br\n0.000001 0.704417 0.295583 O\n0.000001 0.295583 0.704417 O\n",
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{
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"updated_at": "2022-09-04T14:35:49.464325Z",
"structure_string": "Ce1 Ti2 O6\n1.0\n0.882398 -3.671879 -0.112328\n-4.255993 -2.996703 1.046208\n1.883101 0.654498 -6.652469\nCe Ti O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.177617 0.644867 0.387358 Ti\n0.822383 0.355132 0.612642 Ti\n0.023363 0.953133 0.307359 O\n0.976637 0.046866 0.692641 O\n0.348852 0.302425 0.098229 O\n0.651148 0.697574 0.901771 O\n0.722496 0.555086 0.401875 O\n0.277503 0.444913 0.598125 O\n",
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{
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"created_at": "2022-09-04T14:35:49.532125Z",
"updated_at": "2022-09-04T14:35:49.532150Z",
"structure_string": "Pr5 Ru2 O12\n1.0\n6.009271 0.000000 0.000000\n-3.004635 6.149259 -1.930739\n0.000000 -0.002249 7.718655\nPr Ru O\n5 2 12\ndirect\n0.306889 0.613780 0.643176 Pr\n0.693110 0.386220 0.356825 Pr\n0.690592 0.381185 0.832724 Pr\n0.309407 0.618816 0.167277 Pr\n-0.000000 -0.000000 0.500000 Pr\n0.764973 0.000000 0.000000 Ru\n0.235027 0.000000 0.000000 Ru\n0.587229 0.683338 0.922034 O\n0.500124 0.000249 0.169825 O\n0.594840 0.690880 0.422614 O\n0.000899 0.001800 0.184372 O\n0.903959 0.309120 0.577387 O\n0.405159 0.309120 0.577387 O\n0.499875 0.999751 0.830175 O\n0.412771 0.316662 0.077967 O\n0.999100 0.998200 0.815628 O\n0.096040 0.690880 0.422614 O\n0.096108 0.683338 0.922034 O\n0.903891 0.316662 0.077967 O\n",
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"volume": 285.19799753587574,
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"formula_full": "Pr5 Ru2 O12",
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{
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"created_at": "2022-09-04T14:35:49.702187Z",
"updated_at": "2022-09-04T14:35:49.702213Z",
"structure_string": "V2 As4\n1.0\n0.000000 -3.305544 -0.000000\n3.962792 -1.652773 -2.291217\n3.973846 -1.652773 5.237628\nV As\n2 4\ndirect\n0.154588 0.884976 0.805847 V\n0.845409 0.115025 0.194153 V\n0.404988 0.296279 0.893743 As\n0.595009 0.703722 0.106257 As\n0.852376 0.759991 0.535253 As\n0.147621 0.240009 0.464747 As\n",
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{
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"created_at": "2022-09-04T14:35:49.768970Z",
"updated_at": "2022-09-04T14:35:49.769000Z",
"structure_string": "Li2 Fe2 Co1 O6\n1.0\n2.814060 0.002781 -0.006344\n-0.004284 5.739066 -0.021221\n-1.392169 -1.724373 6.117003\nLi Fe Co O\n2 2 1 6\ndirect\n0.646070 0.302479 0.292659 Li\n0.353931 0.697522 0.707342 Li\n0.665214 0.837436 0.330454 Fe\n0.334787 0.162565 0.669546 Fe\n0.000001 0.500000 0.000000 Co\n0.511896 0.727356 0.023991 O\n0.157779 0.601482 0.315371 O\n0.823214 0.927943 0.646216 O\n0.176787 0.072058 0.353784 O\n0.842222 0.398520 0.684630 O\n0.488105 0.272645 0.976009 O\n",
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{
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"structure_string": "Li10 Co2 O6 F2\n1.0\n-1.829513 -4.537131 -4.249456\n-1.829513 4.537131 -4.249456\n3.709143 0.000000 -2.853797\nLi Co O F\n10 2 6 2\ndirect\n0.955718 0.555595 0.251813 Li\n0.465995 0.041112 0.742777 Li\n0.208889 0.784006 0.507225 Li\n0.784006 0.208889 0.507225 Li\n0.984513 0.984513 0.006456 Li\n0.041112 0.465995 0.742777 Li\n0.694406 0.294283 0.998190 Li\n0.555595 0.955718 0.251813 Li\n0.294283 0.694406 0.998190 Li\n0.265487 0.265487 0.243546 Li\n0.753631 0.753631 0.749092 Co\n0.496369 0.496369 0.500911 Co\n0.230386 0.523607 0.377825 O\n0.763624 0.486377 0.625001 O\n0.523607 0.230386 0.377825 O\n0.486377 0.763624 0.625001 O\n0.726393 0.019615 0.872176 O\n0.019615 0.726393 0.872176 O\n0.977132 0.272868 0.125001 F\n0.272868 0.977132 0.125001 F\n",
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"structure_string": "Ca9 N6\n1.0\n3.776797 0.000000 -0.000000\n-1.888399 7.324701 -1.359168\n-0.000000 0.013990 9.306880\nCa N\n9 6\ndirect\n0.126873 0.253745 0.278625 Ca\n0.790467 0.580933 0.378616 Ca\n0.827811 0.655622 0.034966 Ca\n0.209533 0.419067 0.621383 Ca\n0.172189 0.344378 0.965033 Ca\n0.873128 0.746255 0.721375 Ca\n0.469622 0.939243 0.340449 Ca\n0.500000 -0.000000 -0.000000 Ca\n0.530379 0.060757 0.659551 Ca\n0.359073 0.718145 0.512241 N\n0.030691 0.061382 0.811902 N\n0.969310 0.938617 0.188097 N\n0.317708 0.635415 0.869376 N\n0.640927 0.281855 0.487759 N\n0.682293 0.364585 0.130624 N\n",
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{
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"structure_string": "Li3 V2 Cr2 O8\n1.0\n5.828861 -0.001456 -0.035418\n-2.876616 5.100297 0.046160\n-2.940012 -1.682580 4.744516\nLi V Cr O\n3 2 2 8\ndirect\n0.500000 -0.000000 -0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n-0.000000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.499999 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.515675 0.736024 0.759920 O\n0.483982 0.722905 0.238988 O\n0.976206 0.736115 0.220335 O\n0.989070 0.746384 0.757398 O\n0.010929 0.253616 0.242602 O\n0.023794 0.263885 0.779666 O\n0.516018 0.277095 0.761012 O\n0.484325 0.263976 0.240081 O\n",
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