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"id": "jvasp-33320",
"created_at": "2022-09-04T14:37:06.912879Z",
"updated_at": "2022-09-04T14:37:06.912897Z",
"structure_string": "Ti1 H12 C2 N6 F6\n1.0\n5.896240 3.710793 -2.619366\n-5.896240 3.710793 2.619366\n-0.074416 0.000000 5.977517\nTi H C N F\n1 12 2 6 6\ndirect\n0.067422 0.932577 0.585264 Ti\n0.053266 0.629571 0.313597 H\n0.370428 0.946734 0.313597 H\n0.055694 0.391861 0.327154 H\n0.608138 0.944305 0.327154 H\n0.371347 0.392505 0.324363 H\n0.607494 0.628653 0.324363 H\n0.763474 0.472665 0.846281 H\n0.527334 0.236525 0.846281 H\n0.079117 0.473331 0.843414 H\n0.526668 0.920882 0.843414 H\n0.081504 0.235641 0.856804 H\n0.764358 0.918495 0.856804 H\n0.342279 0.657720 0.310828 C\n0.792528 0.207471 0.859732 C\n0.133688 0.553790 0.307713 N\n0.446209 0.866311 0.307713 N\n0.446263 0.553736 0.311497 N\n0.688573 0.311426 0.859213 N\n0.001105 0.311410 0.862774 N\n0.688589 0.998894 0.862774 N\n0.227982 0.772017 0.760941 F\n0.906859 0.093140 0.409588 F\n0.261616 0.100036 0.375068 F\n0.899963 0.738383 0.375068 F\n0.234863 0.126774 0.795453 F\n0.873225 0.765136 0.795453 F\n",
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{
"id": "jvasp-52281",
"created_at": "2022-09-04T14:36:57.592539Z",
"updated_at": "2022-09-04T14:36:57.592562Z",
"structure_string": "Mg3 Zn1 O4\n1.0\n0.000000 2.130036 2.130036\n-4.254379 2.126179 -2.126179\n-4.254379 -2.126179 2.126179\nMg Zn O\n3 1 4\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500001 -0.000000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n-0.000000 0.746684 0.746684 O\n0.500001 0.256149 0.743851 O\n0.500001 0.743851 0.256149 O\n-0.000000 0.253316 0.253316 O\n",
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{
"id": "jvasp-120412",
"created_at": "2022-09-04T14:38:53.991911Z",
"updated_at": "2022-09-04T14:38:53.991941Z",
"structure_string": "Mn1 V4 Cu3 O12\n1.0\n5.941513 -0.000000 -2.100642\n-2.970756 5.145501 -2.100642\n-0.000000 -0.000000 6.301926\nMn V Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n-0.000000 0.500000 0.000000 V\n0.499999 0.500000 0.500000 V\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.499999 0.500000 0.000000 Cu\n0.884450 0.701665 0.182786 O\n0.518879 0.701665 0.817215 O\n0.182785 0.481120 0.298335 O\n0.817214 0.115549 0.298335 O\n0.182785 0.884451 0.701666 O\n0.701665 0.182786 0.884452 O\n0.298335 0.182786 0.481121 O\n0.298334 0.817214 0.115549 O\n0.115549 0.298335 0.817215 O\n0.701664 0.817214 0.518880 O\n0.817214 0.518880 0.701666 O\n0.481120 0.298335 0.182786 O\n",
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"structure_string": "V8 H4\n1.0\n-2.943568 2.943568 3.334891\n2.943568 -2.943568 3.334891\n2.943568 2.943568 -3.334891\nV H\n8 4\ndirect\n0.730199 0.730938 0.500739 V\n0.730938 0.730199 0.000738 V\n0.229462 0.730200 0.499262 V\n0.730200 0.229462 0.999262 V\n0.269801 0.269062 0.499262 V\n0.269063 0.269801 0.999262 V\n0.770538 0.269801 0.500739 V\n0.269800 0.770538 0.000738 V\n-0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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{
"id": "jvasp-72005",
"created_at": "2022-09-04T14:36:06.234445Z",
"updated_at": "2022-09-04T14:36:06.234469Z",
"structure_string": "Be1 Co2 P1\n1.0\n3.568554 -0.000000 0.000000\n-0.000000 3.568554 -0.000000\n-0.000000 0.000000 3.025075\nBe Co P\n1 2 1\ndirect\n0.000000 0.000000 0.499999 Be\n0.499999 0.000000 0.000000 Co\n0.000000 0.499999 0.000000 Co\n0.499999 0.499999 0.499999 P\n",
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{
"id": "jvasp-13316",
"created_at": "2022-09-04T14:37:04.841575Z",
"updated_at": "2022-09-04T14:37:04.841603Z",
"structure_string": "Li4 Mn4 O8\n1.0\n5.656905 0.089712 -0.303192\n0.089712 5.656905 -0.303192\n-2.879414 -2.879414 5.120217\nLi Mn O\n4 4 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.198564 0.801435 0.250000 Li\n0.801436 0.198565 0.750001 Li\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500001 Mn\n0.500000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.260644 0.745260 0.976092 O\n0.248281 0.251718 0.478092 O\n0.254741 0.739357 0.523909 O\n0.251718 0.248281 0.978092 O\n0.748282 0.751719 0.021909 O\n0.745259 0.260643 0.476092 O\n0.751719 0.748282 0.521909 O\n0.739356 0.254740 0.023909 O\n",
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"formula_full": "Li4 Mn4 O8",
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"spacegroup": 15
},
{
"id": "jvasp-10329",
"created_at": "2022-09-04T14:37:20.138730Z",
"updated_at": "2022-09-04T14:37:20.138757Z",
"structure_string": "Cr4 Cu3 O12\n1.0\n5.838983 -0.000053 -2.065728\n-2.919563 5.056650 -2.065800\n0.000034 -0.000028 6.197281\nCr Cu O\n4 3 12\ndirect\n0.000001 0.000001 0.500001 Cr\n0.999999 0.500000 0.999999 Cr\n0.500000 0.500000 0.500000 Cr\n0.500001 1.000000 0.000000 Cr\n0.500001 0.500001 0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.999999 0.499999 Cu\n0.692570 0.507367 0.814130 O\n0.183853 0.304837 0.492610 O\n0.507366 0.814796 0.693237 O\n0.695163 0.879020 0.187778 O\n0.120981 0.816146 0.308760 O\n0.816146 0.695163 0.507389 O\n0.307430 0.492633 0.185869 O\n0.879018 0.183854 0.691240 O\n0.185202 0.692570 0.878439 O\n0.814797 0.307430 0.121559 O\n0.492633 0.185203 0.306762 O\n0.304837 0.120981 0.812222 O\n",
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{
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"created_at": "2022-09-04T14:36:49.317668Z",
"updated_at": "2022-09-04T14:36:49.317681Z",
"structure_string": "Mn6 O10 F2\n1.0\n4.469129 -0.076607 0.000000\n-0.076607 4.469129 -0.000000\n0.000000 0.000000 8.681384\nMn O F\n6 10 2\ndirect\n0.008190 0.991810 0.010124 Mn\n0.008190 0.991810 0.323209 Mn\n0.022052 0.977947 0.666667 Mn\n0.480714 0.519285 0.833654 Mn\n0.509036 0.490963 0.166667 Mn\n0.480714 0.519285 0.499680 Mn\n0.808962 0.191038 0.166667 O\n0.691343 0.701571 0.666667 O\n0.697248 0.694198 0.332170 O\n0.697248 0.694198 0.001163 O\n0.298429 0.308657 0.666667 O\n0.196537 0.803463 0.839007 O\n0.305802 0.302752 0.001163 O\n0.196537 0.803463 0.494325 O\n0.199982 0.800018 0.166667 O\n0.305802 0.302752 0.332170 O\n0.796604 0.203396 0.495778 F\n0.796604 0.203396 0.837556 F\n",
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{
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{
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"created_at": "2022-09-04T14:37:08.099614Z",
"updated_at": "2022-09-04T14:37:08.099646Z",
"structure_string": "Na2 H2 O2\n1.0\n1.682026 -0.865133 5.300300\n0.000000 3.323826 -0.512646\n-1.682026 -0.865133 5.300300\nNa H O\n2 2 2\ndirect\n0.415694 0.205491 0.415694 Na\n0.665715 0.958005 0.665715 Na\n0.185614 0.478146 0.185614 H\n0.935620 0.722734 0.935620 H\n0.089421 0.382566 0.089421 O\n0.839430 0.630620 0.839430 O\n",
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]
}