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{
"id": "jvasp-108974",
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"structure_string": "K2 Li1 Sc1 F6\n1.0\n4.988438 -0.000000 2.880076\n1.662813 4.703145 2.880076\n-0.000000 -0.000000 5.760153\nK Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Sc\n0.248352 0.248351 0.751649 F\n0.248351 0.751648 0.751649 F\n0.751649 0.751648 0.248353 F\n0.248351 0.751648 0.248353 F\n0.751649 0.248351 0.751649 F\n0.751649 0.248351 0.248352 F\n",
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{
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{
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"updated_at": "2022-09-04T14:38:10.780009Z",
"structure_string": "K2 Li8 Cr2 O10\n1.0\n5.544533 -0.010260 0.007481\n-2.755481 5.067325 -0.032409\n-1.185305 -0.900496 8.055575\nK Li Cr O\n2 8 2 10\ndirect\n0.396522 0.251118 0.590719 K\n0.603476 0.748880 0.409281 K\n0.439006 0.640276 0.914509 Li\n0.330371 -0.000378 0.874628 Li\n0.899540 0.614496 0.914628 Li\n0.115637 0.669644 0.623611 Li\n0.884361 0.330354 0.376389 Li\n0.100458 0.385502 0.085372 Li\n0.669627 0.000377 0.125372 Li\n0.560993 0.359722 0.085491 Li\n0.136159 0.909523 0.220976 Cr\n0.863840 0.090475 0.779024 Cr\n0.224441 0.267050 0.913507 O\n0.748870 0.232433 0.940666 O\n0.487708 0.833939 0.726355 O\n0.942342 0.824851 0.729939 O\n0.911056 0.275297 0.617418 O\n0.088943 0.724702 0.382582 O\n0.057656 0.175147 0.270061 O\n0.512290 0.166059 0.273646 O\n0.251128 0.767565 0.059334 O\n0.775557 0.732948 0.086493 O\n",
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{
"id": "jvasp-88148",
"created_at": "2022-09-04T14:38:11.107346Z",
"updated_at": "2022-09-04T14:38:11.107376Z",
"structure_string": "Sr4 U2 Mn2 O12\n1.0\n5.903257 0.000000 0.000000\n0.000000 5.850793 -0.004684\n0.000000 0.011784 8.169107\nSr U Mn O\n4 2 2 12\ndirect\n0.536613 0.506136 0.249230 Sr\n0.963388 0.006136 0.749230 Sr\n0.463388 0.493863 0.750770 Sr\n0.036612 0.993863 0.250771 Sr\n0.000000 0.499999 0.500000 U\n0.500000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.979644 0.423045 0.245418 O\n0.708517 0.287452 0.960544 O\n0.791483 0.787452 0.460544 O\n0.213347 0.209072 0.958818 O\n0.713347 0.290927 0.541183 O\n0.291483 0.712547 0.039457 O\n0.520357 0.923045 0.745419 O\n0.020357 0.576954 0.754583 O\n0.786654 0.790927 0.041183 O\n0.208517 0.212547 0.539457 O\n0.286653 0.709072 0.458818 O\n0.479644 0.076954 0.254582 O\n",
"nsites": 20,
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{
"id": "jvasp-44714",
"created_at": "2022-09-04T14:38:04.714661Z",
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"structure_string": "Li5 Fe3 Ni2 O10\n1.0\n4.993068 0.013853 0.086265\n0.762489 5.023766 0.086759\n2.483239 2.249496 6.948832\nLi Fe Ni O\n5 3 2 10\ndirect\n0.499052 0.804256 0.417024 Li\n0.508880 0.608333 0.783549 Li\n-0.000000 0.500001 0.500000 Li\n0.491121 0.391668 0.216450 Li\n0.500948 0.195745 0.582975 Li\n0.500000 -0.000000 -0.000000 Fe\n0.008263 0.301659 0.894075 Fe\n0.991738 0.698343 0.105924 Fe\n-0.005116 0.104766 0.307532 Ni\n0.005116 0.895235 0.692468 Ni\n0.251922 0.318358 0.042556 O\n0.230652 0.924150 0.857818 O\n0.748079 0.681644 0.957444 O\n0.762186 0.864996 0.548315 O\n0.240002 0.763960 0.227648 O\n0.223917 0.537986 0.669844 O\n0.776084 0.462015 0.330156 O\n0.759999 0.236041 0.772351 O\n0.237814 0.135006 0.451684 O\n0.769348 0.075851 0.142181 O\n",
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"formula_full": "Li5 Fe3 Ni2 O10",
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{
"id": "jvasp-43419",
"created_at": "2022-09-04T14:38:11.046369Z",
"updated_at": "2022-09-04T14:38:11.046378Z",
"structure_string": "Li4 Sb1 Te3 O12\n1.0\n0.000000 5.050456 0.048943\n9.193612 0.000000 0.000000\n0.000000 -0.429635 -5.180252\nLi Sb Te O\n4 1 3 12\ndirect\n0.000000 0.317490 0.000000 Li\n0.500000 0.142536 0.000000 Li\n-0.000000 0.673670 0.500000 Li\n0.500000 0.843936 0.500000 Li\n0.000000 0.895799 0.000000 Sb\n0.500000 0.594670 0.000000 Te\n-0.000000 0.086201 0.500000 Te\n0.500000 0.398365 0.500000 Te\n0.778932 0.058148 0.792442 O\n0.284479 0.556116 0.650575 O\n0.212116 0.924156 0.691232 O\n0.210182 0.224784 0.701398 O\n0.789818 0.224784 0.298603 O\n0.284859 0.437203 0.147144 O\n0.715520 0.556116 0.349425 O\n0.221068 0.058148 0.207559 O\n0.715141 0.437203 0.852856 O\n0.233623 0.752718 0.191589 O\n0.787884 0.924156 0.308768 O\n0.766377 0.752718 0.808411 O\n",
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"formula_full": "Li4 Sb1 Te3 O12",
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{
"id": "jvasp-110271",
"created_at": "2022-09-04T14:38:16.538882Z",
"updated_at": "2022-09-04T14:38:16.538912Z",
"structure_string": "Ce2 Si4 Os1 Ru3\n1.0\n4.215566 0.000000 0.000000\n0.000000 4.215566 0.000000\n0.000000 0.000000 9.720905\nCe Si Os Ru\n2 4 1 3\ndirect\n0.500001 0.000000 0.750089 Ce\n-0.000000 0.500001 0.249910 Ce\n-0.000000 0.500001 0.881251 Si\n0.500001 0.000000 0.382861 Si\n0.500001 0.000000 0.118748 Si\n-0.000000 0.500001 0.617139 Si\n0.500001 0.500001 -0.000000 Os\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500000 Ru\n",
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"formula_full": "Ce2 Si4 Os1 Ru3",
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{
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"created_at": "2022-09-04T14:38:11.053174Z",
"updated_at": "2022-09-04T14:38:11.053203Z",
"structure_string": "Li6 Fe2 Si2 O10\n1.0\n4.843498 0.002352 -0.002947\n-1.596385 5.443208 0.018581\n-0.864133 -1.913433 5.985037\nLi Fe Si O\n6 2 2 10\ndirect\n0.686252 0.400091 0.392465 Li\n0.500000 -0.000000 -0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.313748 0.599910 0.607535 Li\n0.106761 0.200388 0.195170 Li\n0.893239 0.799612 0.804829 Li\n0.704615 0.901273 0.401647 Fe\n0.295386 0.098727 0.598353 Fe\n0.901833 0.306613 0.805617 Si\n0.098167 0.693387 0.194383 Si\n0.994617 0.248210 0.530181 O\n0.829746 0.840038 0.124673 O\n0.834691 0.369614 0.085626 O\n0.617029 0.984850 0.703347 O\n0.616664 0.420612 0.701755 O\n0.382972 0.015151 0.296653 O\n0.383336 0.579389 0.298245 O\n0.170254 0.159962 0.875327 O\n0.165310 0.630386 0.914374 O\n0.005383 0.751790 0.469819 O\n",
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{
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"created_at": "2022-09-04T14:38:11.062283Z",
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"structure_string": "Li2 Ti1 Fe1 O4\n1.0\n0.000000 5.135924 -0.108870\n2.933732 0.000000 0.000000\n0.000000 -1.605011 -4.496648\nLi Ti Fe O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Fe\n0.731791 0.000000 0.234265 O\n0.735652 0.500000 0.739155 O\n0.268209 0.000000 0.765736 O\n0.264347 0.500000 0.260846 O\n",
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{
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"created_at": "2022-09-04T14:38:11.062938Z",
"updated_at": "2022-09-04T14:38:11.062958Z",
"structure_string": "Zn4 Sb4 As4 O20\n1.0\n0.000000 7.622489 -0.000369\n7.632671 0.000000 0.000000\n0.000000 -0.000599 -8.703985\nZn Sb As O\n4 4 4 20\ndirect\n0.928926 0.419608 0.845678 Zn\n0.571073 0.580390 0.345677 Zn\n0.428927 0.080390 0.654324 Zn\n0.071074 0.919608 0.154323 Zn\n0.036902 0.518629 0.510109 Sb\n0.463097 0.481373 0.010099 Sb\n0.536903 0.981373 -0.010099 Sb\n0.963098 0.018629 0.489892 Sb\n0.349890 0.183477 0.323756 As\n0.150112 0.816523 0.823759 As\n0.650110 0.683477 0.676245 As\n0.849888 0.316523 0.176242 As\n0.108305 0.606578 0.761235 O\n0.573846 0.661289 0.139805 O\n0.926158 0.338701 0.639807 O\n0.318911 0.050481 0.164536 O\n0.181083 0.949514 0.664535 O\n0.818917 0.449514 0.335465 O\n0.681089 0.550480 0.835464 O\n0.391694 0.393419 0.261223 O\n0.891695 0.106578 0.238766 O\n0.160452 0.206311 0.433483 O\n0.507822 0.106157 0.445983 O\n0.992178 0.893847 0.945975 O\n0.007822 0.393847 0.054025 O\n0.492178 0.606157 0.554017 O\n0.426154 0.161289 0.860195 O\n0.339556 0.793690 0.933483 O\n0.660444 0.293690 0.066517 O\n0.839548 0.706310 0.566518 O\n0.608306 0.893419 0.738778 O\n0.073842 0.838701 0.360194 O\n",
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{
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"created_at": "2022-09-04T14:38:06.627029Z",
"updated_at": "2022-09-04T14:38:06.627054Z",
"structure_string": "Zn4 Bi4 As4 O20\n1.0\n7.629750 0.000000 0.000000\n0.000000 6.852818 0.000000\n0.000000 0.000000 8.724922\nZn Bi As O\n4 4 4 20\ndirect\n-0.031312 0.617442 0.205169 Zn\n0.531312 0.382559 0.705169 Zn\n0.031312 0.117442 0.294831 Zn\n0.468688 0.882559 0.794831 Zn\n0.284755 0.677169 0.491955 Bi\n0.215245 0.322832 -0.008045 Bi\n0.715245 0.177169 0.008045 Bi\n0.784755 0.822832 0.508045 Bi\n0.961398 0.340026 0.638153 As\n0.538602 0.659975 0.138153 As\n0.461398 0.159975 0.361847 As\n0.038602 0.840026 0.861847 As\n0.339802 0.640497 0.227686 O\n0.477886 0.162536 0.841882 O\n0.022114 0.837465 0.341882 O\n0.790905 0.338531 0.766323 O\n0.709095 0.661469 0.266323 O\n0.209095 0.838531 0.733677 O\n0.290905 0.161469 0.233677 O\n0.160198 0.359503 0.727685 O\n0.839802 0.859503 0.772314 O\n-0.050999 0.543867 0.521298 O\n0.952044 0.140872 0.518868 O\n0.547956 0.859129 0.018868 O\n0.047956 0.640872 0.981132 O\n0.452044 0.359128 0.481132 O\n-0.022114 0.337464 0.158118 O\n0.550999 0.456133 0.021298 O\n0.050999 0.043867 0.978701 O\n0.449001 0.956134 0.478701 O\n0.660198 0.140497 0.272314 O\n0.522114 0.662536 0.658118 O\n",
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{
"id": "jvasp-45935",
"created_at": "2022-09-04T14:38:07.529955Z",
"updated_at": "2022-09-04T14:38:07.529982Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.021404 0.010070 -0.010134\n-0.868687 5.020694 0.004845\n-0.017595 -1.741129 5.671848\nLi V Cr O\n4 2 2 8\ndirect\n-0.000010 0.000009 -0.000001 Li\n0.497489 0.005206 0.757314 Li\n0.000019 -0.000015 0.499999 Li\n0.502517 0.994808 0.242701 Li\n0.747235 0.499543 0.617068 V\n0.252752 0.500441 0.382926 V\n0.248825 0.499667 0.878995 Cr\n0.751173 0.500327 0.121004 Cr\n0.876269 0.274141 0.819104 O\n0.621185 0.725653 0.930853 O\n0.372574 0.266667 0.575052 O\n0.124404 0.731436 0.689474 O\n0.875586 0.268567 0.310522 O\n0.627413 0.733332 0.424949 O\n0.378817 0.274352 0.069150 O\n0.123733 0.725863 0.180890 O\n",
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]
}