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{
"id": "jvasp-110622",
"created_at": "2022-09-04T14:38:38.035275Z",
"updated_at": "2022-09-04T14:38:38.035293Z",
"structure_string": "Li2 Mn1 Fe1 O4\n1.0\n3.680559 -0.025487 -3.429283\n-0.713737 3.610781 -3.429283\n0.021090 0.025487 5.030511\nLi Mn Fe O\n2 1 1 4\ndirect\n0.249999 0.750000 0.500000 Li\n0.500000 0.499999 -0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Fe\n0.509703 0.009703 0.500000 O\n0.236508 0.236508 -0.000000 O\n0.990297 0.490297 0.500000 O\n0.763491 0.763491 -0.000000 O\n",
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{
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"structure_string": "Li12 H24 Rh4\n1.0\n8.450976 0.000000 0.000000\n-0.000000 4.733829 0.000000\n0.000000 0.000000 8.424524\nLi H Rh\n12 24 4\ndirect\n0.543182 0.250000 0.871822 Li\n0.276601 0.750000 0.745500 Li\n0.223399 0.250000 0.245500 Li\n0.723399 0.250000 0.254500 Li\n0.601116 0.750000 0.478760 Li\n0.101115 0.750000 0.021240 Li\n0.776601 0.750000 0.754499 Li\n0.898885 0.250000 0.978760 Li\n0.956819 0.750000 0.371822 Li\n0.456818 0.750000 0.128177 Li\n0.043182 0.250000 0.628177 Li\n0.398885 0.250000 0.521239 Li\n0.607244 0.005055 0.679306 H\n0.107243 0.494945 0.820693 H\n0.614500 0.250000 0.441694 H\n0.114499 0.250000 0.058306 H\n0.385501 0.750000 0.558306 H\n0.833545 0.250000 0.766633 H\n0.333545 0.250000 0.733366 H\n0.166456 0.750000 0.233366 H\n0.666456 0.750000 0.266633 H\n0.892757 0.994946 0.179306 H\n0.885501 0.750000 0.941694 H\n0.392757 0.505055 0.320694 H\n0.347075 0.498195 0.968443 H\n0.392757 0.994946 0.320694 H\n0.107243 0.005055 0.820693 H\n0.607244 0.494945 0.679306 H\n0.847075 0.001805 0.531556 H\n0.652925 -0.001805 0.031556 H\n0.152925 0.501805 0.468443 H\n0.652925 0.501805 0.031556 H\n0.152925 -0.001805 0.468443 H\n0.347075 0.001805 0.968443 H\n0.847075 0.498195 0.531556 H\n0.892757 0.505055 0.179306 H\n0.272997 0.750000 0.396172 Rh\n0.727003 0.250000 0.603828 Rh\n0.227003 0.250000 0.896172 Rh\n0.772997 0.750000 0.103828 Rh\n",
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"formula_full": "Li12 H24 Rh4",
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},
{
"id": "jvasp-7780",
"created_at": "2022-09-04T14:36:38.006107Z",
"updated_at": "2022-09-04T14:36:38.006134Z",
"structure_string": "Al1 N1\n1.0\n2.491980 0.000000 1.438746\n0.830660 2.349462 1.438746\n-0.000000 0.000000 2.877491\nAl N\n1 1\ndirect\n0.500000 0.500000 0.500002 Al\n0.000000 0.000000 0.000000 N\n",
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},
{
"id": "jvasp-111149",
"created_at": "2022-09-04T14:38:48.641215Z",
"updated_at": "2022-09-04T14:38:48.641240Z",
"structure_string": "Li2 Ni2 O4\n1.0\n2.877287 -0.000183 -0.001376\n1.438431 2.473975 0.376397\n0.002545 0.207611 9.496648\nLi Ni O\n2 2 4\ndirect\n0.749996 0.499992 0.249991 Li\n0.250003 0.500005 0.750009 Li\n0.500001 0.000004 0.499996 Ni\n0.000001 -0.000003 0.000003 Ni\n0.371307 0.257175 0.112147 O\n0.871321 0.257158 0.612139 O\n0.128680 0.742849 0.387856 O\n0.628699 0.742816 0.887858 O\n",
"nsites": 8,
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{
"id": "jvasp-110313",
"created_at": "2022-09-04T14:37:57.756310Z",
"updated_at": "2022-09-04T14:37:57.756334Z",
"structure_string": "Li1 Ni1 O2\n1.0\n2.763174 0.000071 0.824312\n1.258980 2.459703 0.824308\n0.023610 0.014439 4.966340\nLi Ni O\n1 1 2\ndirect\n0.500001 0.500001 0.499997 Li\n0.999999 0.999998 0.000001 Ni\n0.258575 0.258576 0.224308 O\n0.741423 0.741422 0.775695 O\n",
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},
{
"id": "jvasp-24017",
"created_at": "2022-09-04T14:37:39.436571Z",
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"structure_string": "Li1 H1 F2\n1.0\n2.836610 0.014664 3.796699\n1.272200 2.535366 3.796699\n0.023629 0.014664 4.739274\nLi H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.499999 0.500000 H\n0.413374 0.413373 0.413374 F\n0.586627 0.586625 0.586627 F\n",
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},
{
"id": "jvasp-122003",
"created_at": "2022-09-04T14:38:54.393111Z",
"updated_at": "2022-09-04T14:38:54.393148Z",
"structure_string": "Li4 Co2 O6\n1.0\n2.822802 -0.000000 0.000000\n-1.411401 2.444618 0.000000\n-0.000000 -0.000000 14.642146\nLi Co O\n4 2 6\ndirect\n0.333333 0.666667 0.337345 Li\n0.666666 0.333334 0.662655 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.840326 Co\n0.666666 0.333334 0.159674 Co\n0.333333 0.666667 0.590546 O\n0.666666 0.333334 0.911461 O\n0.000000 0.000000 0.226019 O\n0.333333 0.666667 0.088539 O\n0.666666 0.333334 0.409454 O\n0.000000 0.000000 0.773982 O\n",
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"elements": [
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{
"id": "jvasp-119688",
"created_at": "2022-09-04T14:38:52.195662Z",
"updated_at": "2022-09-04T14:38:52.195695Z",
"structure_string": "Li4 Cr2 Co2 O8\n1.0\n5.742702 0.009975 -0.068288\n2.848972 4.094457 -2.886254\n0.006217 -0.009952 5.743135\nLi Cr Co O\n4 2 2 8\ndirect\n0.497520 0.004773 0.503313 Li\n0.997508 0.504762 0.003284 Li\n0.997463 0.504823 0.503347 Li\n0.997474 0.004797 0.503334 Li\n0.997462 0.004825 0.003364 Cr\n0.497451 0.504828 0.503353 Cr\n0.497467 0.004817 0.003349 Co\n0.497468 0.504815 0.003344 Co\n0.739718 0.019397 0.245747 O\n0.255068 0.519396 0.761096 O\n0.739846 0.490254 0.245621 O\n0.255190 0.990256 0.760973 O\n0.274552 0.483074 0.237087 O\n0.731222 0.026533 0.780432 O\n0.263726 0.983072 0.226262 O\n0.720382 0.526538 0.769593 O\n",
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{
"id": "jvasp-33825",
"created_at": "2022-09-04T14:37:59.240688Z",
"updated_at": "2022-09-04T14:37:59.240716Z",
"structure_string": "Ti1 H8 N2 F6\n1.0\n5.745787 0.000185 0.002133\n-2.872733 4.975778 0.000063\n-0.001123 -0.000588 5.003890\nTi H N F\n1 8 2 6\ndirect\n-0.000002 -0.000000 -0.000000 Ti\n0.568459 0.137124 0.747046 H\n0.568446 0.431324 0.747038 H\n0.332720 0.666360 0.526987 H\n0.862644 0.431325 0.747747 H\n0.431552 0.568673 0.252961 H\n0.431545 0.862877 0.252954 H\n0.137357 0.568678 0.252252 H\n0.667282 0.333641 0.473014 H\n0.333301 0.666649 0.320423 N\n0.666700 0.333352 0.679576 N\n0.157864 0.315603 0.787585 F\n0.842133 0.157735 0.212409 F\n0.842137 0.684397 0.212415 F\n0.315357 0.157673 0.212590 F\n0.684645 0.842329 0.787411 F\n0.157867 0.842264 0.787591 F\n",
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"structure_string": "Co1 H2 O2\n1.0\n3.402697 -0.000000 0.000000\n-1.701349 2.946822 0.000000\n-0.000000 -0.000000 4.196252\nCo H O\n1 2 2\ndirect\n0.666667 0.333333 0.972389 Co\n0.333333 0.666666 0.024253 H\n0.000000 0.000000 0.440378 H\n0.333333 0.666666 0.786141 O\n0.000000 0.000000 0.207039 O\n",
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},
{
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"created_at": "2022-09-04T14:36:09.046741Z",
"updated_at": "2022-09-04T14:36:09.046765Z",
"structure_string": "Ti1 H8 N2 F6\n1.0\n5.744137 -0.000320 0.001565\n-2.872345 4.975047 0.000000\n-0.001545 -0.000892 5.005563\nTi H N F\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.431460 0.568605 0.253063 H\n0.431459 0.862855 0.253063 H\n0.666881 0.333440 0.472856 H\n0.333122 0.666561 0.527144 H\n0.568543 0.137146 0.746937 H\n0.862841 0.431420 0.747200 H\n0.137162 0.568581 0.252801 H\n0.568543 0.431396 0.746937 H\n0.333295 0.666647 0.320650 N\n0.666708 0.333354 0.679351 N\n0.315482 0.157741 0.212563 F\n0.157878 0.842272 0.787641 F\n0.684520 0.842260 0.787438 F\n0.157877 0.315605 0.787641 F\n0.842125 0.157729 0.212359 F\n0.842126 0.684396 0.212359 F\n",
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{
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"structure_string": "Li8 Fe4 O8 F4\n1.0\n4.951684 -0.000000 -0.012173\n-2.475842 4.297406 0.006086\n-1.613461 0.000000 9.492158\nLi Fe O F\n8 4 8 4\ndirect\n0.165742 0.821862 0.498511 Li\n0.006780 0.493092 0.998166 Li\n0.089732 0.179462 0.250000 Li\n0.656122 0.821862 0.001490 Li\n0.486312 0.493092 0.501834 Li\n0.336502 0.190653 0.004067 Li\n0.742677 0.485354 0.250000 Li\n0.854150 0.190653 0.495934 Li\n0.583775 0.167547 0.750000 Fe\n0.917829 0.835657 0.750001 Fe\n0.250994 0.501986 0.750000 Fe\n0.387825 0.775650 0.250001 Fe\n0.286480 0.835544 0.858295 O\n0.129630 0.508156 0.375414 O\n0.214982 0.167843 0.641053 O\n0.549064 0.835544 0.641707 O\n0.378526 0.508156 0.124587 O\n0.621569 0.501707 0.858594 O\n0.880139 0.501707 0.641408 O\n0.952860 0.167843 0.858947 O\n0.802699 0.842078 0.378988 F\n0.039380 0.842078 0.121013 F\n0.464221 0.166244 0.376374 F\n0.702022 0.166244 0.123626 F\n",
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}