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{
"id": "jvasp-116598",
"created_at": "2022-09-04T14:38:32.384343Z",
"updated_at": "2022-09-04T14:38:32.384371Z",
"structure_string": "Rb6 Mn2 Br10\n1.0\n8.109844 0.060829 -5.705495\n-2.152142 7.819307 -5.705495\n-0.045990 -0.060829 9.915651\nRb Mn Br\n6 2 10\ndirect\n0.250000 0.250000 -0.000000 Rb\n0.750000 0.750000 -0.000001 Rb\n0.154299 0.654300 0.808597 Rb\n0.845700 0.345701 0.191402 Rb\n0.654299 0.845701 0.499999 Rb\n0.345701 0.154299 0.500000 Rb\n0.750000 0.250000 0.499999 Mn\n0.250000 0.750000 0.500000 Mn\n-0.002473 0.803264 0.500000 Br\n0.696736 0.502473 0.499999 Br\n0.502473 0.002473 0.805736 Br\n0.002473 0.196736 0.500000 Br\n0.803263 0.303264 0.805736 Br\n0.497526 -0.002473 0.194263 Br\n0.196736 0.696737 0.194263 Br\n0.000000 0.000000 0.000000 Br\n0.303264 0.497527 0.500000 Br\n0.500000 0.500000 -0.000000 Br\n",
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{
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"structure_string": "K2 Li1 Pd1 F6\n1.0\n4.977010 -0.000000 2.873478\n1.659003 4.692370 2.873478\n-0.000000 -0.000000 5.746956\nK Li Pd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Pd\n0.748469 0.251530 0.251531 F\n0.251530 0.251530 0.748470 F\n0.251530 0.748470 0.748471 F\n0.251530 0.748470 0.251531 F\n0.748469 0.251530 0.748471 F\n0.748469 0.748470 0.251531 F\n",
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{
"id": "jvasp-50640",
"created_at": "2022-09-04T14:36:50.927305Z",
"updated_at": "2022-09-04T14:36:50.927342Z",
"structure_string": "Li4 Cu2 F8\n1.0\n5.603791 -0.027071 -0.000000\n-1.401120 5.425870 0.000000\n-2.101335 -2.699400 4.438562\nLi Cu F\n4 2 8\ndirect\n-0.000001 0.500000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.125000 0.875000 0.250000 Cu\n0.874999 0.125000 0.750000 Cu\n0.213989 0.670016 0.956025 F\n0.329983 0.786010 0.543974 F\n0.213989 0.257963 0.543974 F\n0.742036 0.786010 0.956025 F\n0.257963 0.213990 0.043974 F\n0.786009 0.742037 0.456026 F\n0.670015 0.213990 0.456026 F\n0.786010 0.329984 0.043974 F\n",
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{
"id": "jvasp-9141",
"created_at": "2022-09-04T14:38:14.911573Z",
"updated_at": "2022-09-04T14:38:14.911599Z",
"structure_string": "C6 N8\n1.0\n4.448794 0.000000 -1.572886\n-2.224397 3.852769 -1.572886\n-0.000000 -0.000000 4.718658\nC N\n6 8\ndirect\n0.250000 0.125000 0.875000 C\n0.874999 0.250000 0.124999 C\n0.624999 0.750000 0.374999 C\n0.374999 0.625000 0.749999 C\n0.124999 0.875000 0.249999 C\n0.749999 0.375000 0.624999 C\n0.567145 0.567146 0.567144 N\n0.432854 0.500000 -0.000001 N\n-0.000000 0.432855 0.500000 N\n0.500000 0.000000 0.432854 N\n-0.000000 0.932855 0.499999 N\n0.500000 0.000000 0.932854 N\n0.932853 0.500000 -0.000002 N\n0.067145 0.067146 0.067145 N\n",
"nsites": 14,
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"elements": [
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"density": 3.780168036728465,
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{
"id": "jvasp-12634",
"created_at": "2022-09-04T14:36:40.810621Z",
"updated_at": "2022-09-04T14:36:40.810638Z",
"structure_string": "Rb1 Fe1 Se2 O8\n1.0\n2.517553 -4.360529 -0.000000\n2.517553 4.360529 0.000000\n-0.000000 -0.000000 8.548560\nRb Fe Se O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Fe\n0.666666 0.333332 0.282600 Se\n0.333332 0.666666 0.717400 Se\n0.716540 0.672583 0.345548 O\n0.956043 0.283459 0.345548 O\n0.327416 0.043956 0.345548 O\n0.672583 0.716540 0.654452 O\n0.333332 0.666666 0.909541 O\n0.666666 0.333332 0.090459 O\n0.043956 0.327416 0.654452 O\n0.283459 0.956043 0.654452 O\n",
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"density_atomic": 0.06393526724493523,
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{
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"created_at": "2022-09-04T14:37:19.417391Z",
"updated_at": "2022-09-04T14:37:19.417418Z",
"structure_string": "Mg6 Ti4 O14\n1.0\n5.346001 -0.000000 -0.000000\n-0.000000 4.988539 -1.345578\n0.000000 -0.169309 9.292245\nMg Ti O\n6 4 14\ndirect\n0.704382 0.739736 -0.000000 Mg\n0.204382 0.260264 -0.000000 Mg\n0.821128 0.561649 0.610918 Mg\n0.321128 0.438351 0.389082 Mg\n0.821128 0.950730 0.389082 Mg\n0.321128 0.049270 0.610918 Mg\n0.762715 0.347724 0.212149 Ti\n0.262715 0.652276 0.787850 Ti\n0.262715 0.864425 0.212149 Ti\n0.762715 0.135575 0.787850 Ti\n0.312650 0.635912 -0.000000 O\n0.812650 0.364088 -0.000000 O\n0.420804 0.159285 0.159366 O\n0.920804 0.840715 0.840633 O\n0.052107 0.569595 0.265023 O\n0.552107 0.430405 0.734976 O\n0.194730 0.079380 0.412878 O\n0.052107 0.304571 0.734976 O\n0.694730 0.333500 0.412878 O\n0.194730 0.666500 0.587121 O\n0.920804 0.000081 0.159366 O\n0.694730 0.920620 0.587121 O\n0.552107 0.695429 0.265023 O\n0.420804 0.999919 0.840633 O\n",
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{
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"created_at": "2022-09-04T14:35:46.700536Z",
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"structure_string": "Mg6 Al1 W1\n1.0\n6.159406 -0.035759 0.000000\n-3.110671 5.316322 0.000000\n0.000000 0.000000 4.801856\nMg Al W\n6 1 1\ndirect\n0.177320 0.847555 0.250000 Mg\n0.652445 0.322680 0.250000 Mg\n0.669351 0.830649 0.250000 Mg\n0.326928 0.667640 0.750001 Mg\n0.832361 0.173072 0.750001 Mg\n0.831211 0.668790 0.750001 Mg\n0.188907 0.311093 0.250000 Al\n0.321480 0.178520 0.750001 W\n",
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{
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"created_at": "2022-09-04T14:37:10.632002Z",
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"structure_string": "Zn1 Cr4 S8\n1.0\n6.891658 0.015990 0.011306\n3.459676 5.992334 0.000000\n3.459676 1.997444 5.649627\nZn Cr S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Zn\n0.000001 0.499999 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500001 0.499999 0.500001 Cr\n0.500000 -0.000001 0.500001 Cr\n0.256396 0.255151 0.255152 S\n0.256397 0.255151 0.733301 S\n0.256397 0.733300 0.255152 S\n0.732611 0.255795 0.255796 S\n0.267391 0.744203 0.744205 S\n0.743605 0.744848 0.266700 S\n0.743605 0.266699 0.744850 S\n0.743605 0.744847 0.744850 S\n",
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"structure_string": "Na1 Sr4 B3 N6\n1.0\n6.165497 -0.000000 -2.179832\n-3.082748 5.339476 -2.179832\n-0.000000 -0.000000 6.539496\nNa Sr B N\n1 4 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500001 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000001 B\n0.500000 0.000000 0.500001 B\n0.000000 0.500000 0.500001 B\n0.677912 0.000000 0.677912 N\n0.322089 0.000000 0.322089 N\n0.677912 0.677912 0.000001 N\n0.322089 0.322089 0.000000 N\n0.000000 0.677912 0.677912 N\n0.000000 0.322089 0.322089 N\n",
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"structure_string": "Ca2 Fe4 S8\n1.0\n6.882369 0.019978 0.012223\n3.423647 6.135918 0.017815\n3.425714 1.857738 5.846611\nCa Fe S\n2 4 8\ndirect\n0.999992 0.000015 0.000000 Ca\n0.000006 0.500004 0.499981 Ca\n0.499985 -0.000006 0.499999 Fe\n0.500006 0.000004 0.999980 Fe\n0.000026 0.999992 0.499998 Fe\n0.499995 0.500009 0.499999 Fe\n0.270483 0.760133 0.698910 S\n0.698947 0.761967 0.261951 S\n0.270492 0.198876 0.260143 S\n0.722910 0.238014 0.737998 S\n0.729526 0.801133 0.739819 S\n0.301048 0.238042 0.738028 S\n0.277109 0.761990 0.261978 S\n0.729512 0.239840 0.301134 S\n",
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{
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"updated_at": "2022-09-04T14:38:12.054262Z",
"structure_string": "Nb2 O4 F2\n1.0\n-3.993076 0.000000 0.000000\n0.000000 4.066092 -3.894649\n0.000000 -4.066092 -3.894649\nNb O F\n2 4 2\ndirect\n0.000000 0.476992 0.523008 Nb\n0.000000 0.002137 0.997863 Nb\n0.500000 0.994474 0.005526 O\n0.000000 0.251328 0.748672 O\n0.000000 0.751392 0.739351 O\n0.000000 0.260649 0.248609 O\n0.500000 0.515502 0.484498 F\n0.000000 0.747526 0.252475 F\n",
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{
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"created_at": "2022-09-04T14:38:39.588293Z",
"updated_at": "2022-09-04T14:38:39.588313Z",
"structure_string": "Rb2 Li1 Ta1 Cl6\n1.0\n6.133186 -0.000000 3.540996\n2.044396 5.782423 3.540996\n0.000000 0.000000 7.081994\nRb Li Ta Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.752612 0.247388 0.247388 Cl\n0.247389 0.247388 0.752611 Cl\n0.247389 0.752611 0.752612 Cl\n0.247389 0.752611 0.247388 Cl\n0.752612 0.247388 0.752612 Cl\n0.752613 0.752611 0.247389 Cl\n",
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"formula_full": "Rb2 Li1 Ta1 Cl6",
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}
]
}