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{
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"structure_string": "Li4 Mn4 F12\n1.0\n4.875181 4.433899 0.125863\n-4.875181 4.433899 -0.125863\n-0.453923 0.000000 5.657498\nLi Mn F\n4 4 12\ndirect\n0.334026 0.665974 0.910056 Li\n0.330188 0.330188 0.500000 Li\n0.669813 0.669812 0.500000 Li\n0.665975 0.334026 0.089944 Li\n0.233191 0.766810 0.337147 Mn\n0.187870 0.187870 0.000000 Mn\n0.812131 0.812131 0.000000 Mn\n0.766810 0.233190 0.662854 Mn\n0.921791 0.718146 0.338240 F\n0.281855 0.078209 0.338240 F\n0.474364 0.228045 0.848795 F\n0.771955 0.525637 0.848795 F\n0.228045 0.474363 0.151206 F\n0.379008 0.620992 0.606172 F\n0.078210 0.281854 0.661761 F\n0.718146 0.921791 0.661761 F\n0.620993 0.379008 0.393828 F\n0.140438 0.859562 0.946681 F\n0.525637 0.771955 0.151206 F\n0.859563 0.140438 0.053320 F\n",
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"structure_string": "Sr6 W2 O12\n1.0\n4.940605 2.852459 3.841140\n-4.940605 2.852460 3.841140\n-0.000000 -5.704920 3.841140\nSr W O\n6 2 12\ndirect\n0.436084 0.935056 0.746367 Sr\n0.253633 0.563916 0.064944 Sr\n0.064944 0.253634 0.563915 Sr\n0.935056 0.746367 0.436085 Sr\n0.746367 0.436085 0.935056 Sr\n0.563916 0.064944 0.253633 Sr\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.770882 0.453375 0.573544 O\n0.931632 0.729469 0.058272 O\n0.426456 0.229118 0.546625 O\n0.546625 0.426456 0.229118 O\n0.453375 0.573544 0.770882 O\n0.270530 0.941728 0.068368 O\n0.068368 0.270531 0.941728 O\n0.229118 0.546625 0.426456 O\n0.729470 0.058272 0.931632 O\n0.058272 0.931632 0.729469 O\n0.573544 0.770882 0.453375 O\n0.941728 0.068368 0.270531 O\n",
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{
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"updated_at": "2022-09-04T14:38:19.614803Z",
"structure_string": "In4 Ga2 Bi2 S12\n1.0\n3.835349 0.000000 0.000000\n0.000000 10.064049 -5.028107\n0.000000 -0.064537 12.400570\nIn Ga Bi S\n4 2 2 12\ndirect\n0.250000 0.738697 0.777238 In\n0.750000 0.261303 0.222761 In\n0.750000 0.051157 0.644874 In\n0.250000 0.948843 0.355126 In\n0.250000 0.170042 0.908109 Ga\n0.750000 0.829958 0.091891 Ga\n0.750000 0.403604 0.608959 Bi\n0.250000 0.596395 0.391041 Bi\n0.750000 0.843400 0.432117 S\n0.250000 0.139655 0.076864 S\n0.750000 0.860344 0.923135 S\n0.250000 0.358445 0.396645 S\n0.250000 0.960756 0.735290 S\n0.250000 0.156600 0.567883 S\n0.250000 0.733904 0.128584 S\n0.750000 0.641554 0.603355 S\n0.250000 0.508706 0.779415 S\n0.750000 0.039244 0.264709 S\n0.750000 0.266096 0.871416 S\n0.750000 0.491294 0.220584 S\n",
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{
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"created_at": "2022-09-04T14:38:10.695838Z",
"updated_at": "2022-09-04T14:38:10.695848Z",
"structure_string": "Ge4 Cl16\n1.0\n0.000000 9.506950 -0.059635\n6.367800 0.000000 0.000000\n0.000000 -2.070879 -9.354809\nGe Cl\n4 16\ndirect\n0.252400 0.076767 0.135118 Ge\n0.747600 0.576767 0.364882 Ge\n0.747600 0.923233 0.864882 Ge\n0.252400 0.423233 0.635118 Ge\n0.924004 0.082180 0.803850 Cl\n0.075996 0.582180 0.696150 Cl\n0.433804 0.073857 0.310823 Cl\n0.566195 0.573857 0.189177 Cl\n0.566195 0.926143 0.689177 Cl\n0.433804 0.426143 0.810823 Cl\n0.306838 0.918023 0.956863 Cl\n0.693162 0.081977 0.043137 Cl\n0.924004 0.417820 0.303850 Cl\n0.306838 0.581977 0.456863 Cl\n0.190438 0.106299 0.577599 Cl\n0.809562 0.606299 0.922400 Cl\n0.809562 0.893701 0.422400 Cl\n0.190438 0.393701 0.077599 Cl\n0.693162 0.418023 0.543137 Cl\n0.075996 0.917821 0.196150 Cl\n",
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{
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"created_at": "2022-09-04T14:38:29.274980Z",
"updated_at": "2022-09-04T14:38:29.275009Z",
"structure_string": "Ba4 Na1 Bi3 O12\n1.0\n7.082424 -0.000000 -2.504015\n-3.541211 6.133559 -2.504015\n-0.000000 0.000000 7.512044\nBa Na Bi O\n4 1 3 12\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000001 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.250000 0.750000 O\n0.000000 0.263255 0.263255 O\n0.263255 0.000000 0.263255 O\n0.736744 0.000000 0.736745 O\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.500000 0.750000 O\n0.263255 0.263255 0.000000 O\n0.750000 0.500000 0.250001 O\n0.000000 0.736745 0.736745 O\n0.500000 0.750000 0.250001 O\n0.736745 0.736745 0.000001 O\n",
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{
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"created_at": "2022-09-04T14:38:02.607307Z",
"updated_at": "2022-09-04T14:38:02.607317Z",
"structure_string": "Ba4 Re4 N12\n1.0\n-3.212899 5.194850 -0.964306\n-6.054291 -5.186659 -0.097502\n-0.027330 0.038923 7.972648\nBa Re N\n4 4 12\ndirect\n0.750000 0.328142 0.671858 Ba\n0.250000 0.098923 0.901077 Ba\n0.250000 0.671858 0.328142 Ba\n0.750000 0.901077 0.098923 Ba\n0.238639 0.203667 0.370217 Re\n0.261360 0.629783 0.796333 Re\n0.738640 0.370217 0.203666 Re\n0.761360 0.796333 0.629783 Re\n0.016273 0.682154 0.640219 N\n0.820544 0.578711 0.144099 N\n0.179455 0.421289 0.855901 N\n0.320544 0.144099 0.578711 N\n0.679388 0.235057 0.018326 N\n0.516273 0.640219 0.682154 N\n0.820611 0.981674 0.764943 N\n0.483727 0.359781 0.317846 N\n0.983727 0.317847 0.359781 N\n0.320611 0.764944 0.981674 N\n0.679455 0.855901 0.421289 N\n0.179388 0.018326 0.235056 N\n",
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{
"id": "jvasp-55711",
"created_at": "2022-09-04T14:38:11.487150Z",
"updated_at": "2022-09-04T14:38:11.487171Z",
"structure_string": "K6 Al2 H12\n1.0\n0.000000 6.014527 0.007093\n5.966172 0.000000 0.000000\n0.000000 -5.920619 -8.478631\nK Al H\n6 2 12\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.756791 0.977766 0.252377 K\n0.243209 0.477767 0.247623 K\n0.243209 0.022233 0.747623 K\n0.756791 0.522233 0.752377 K\n-0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.267433 0.488150 0.704630 H\n0.732568 0.988150 0.795370 H\n0.198234 0.679219 0.466476 H\n0.801766 0.179219 0.033524 H\n0.801766 0.320780 0.533524 H\n0.139085 0.237653 0.966075 H\n0.860915 0.762347 0.033925 H\n0.139085 0.262347 0.466075 H\n0.267433 0.011849 0.204630 H\n0.860915 0.737653 0.533925 H\n0.198234 0.820780 0.966476 H\n0.732568 0.511849 0.295370 H\n",
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{
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"created_at": "2022-09-04T14:38:17.131052Z",
"updated_at": "2022-09-04T14:38:17.131076Z",
"structure_string": "Ho4 Sc4 O12\n1.0\n5.416119 0.000000 0.000000\n0.000000 5.728096 0.000000\n0.000000 0.000000 7.919764\nHo Sc O\n4 4 12\ndirect\n0.020424 0.935412 0.250000 Ho\n0.520424 0.564589 0.750000 Ho\n0.479576 0.435412 0.250000 Ho\n0.979576 0.064588 0.750000 Ho\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.810792 0.807326 0.931275 O\n0.310792 0.692675 0.068725 O\n0.310792 0.692675 0.431275 O\n0.810792 0.807326 0.568724 O\n0.189208 0.192675 0.068725 O\n0.367711 0.942277 0.750000 O\n0.132290 0.442277 0.750000 O\n0.632290 0.057723 0.250000 O\n0.189208 0.192675 0.431275 O\n0.867711 0.557724 0.250000 O\n0.689208 0.307325 0.931275 O\n0.689208 0.307325 0.568724 O\n",
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{
"id": "jvasp-42505",
"created_at": "2022-09-04T14:38:29.684866Z",
"updated_at": "2022-09-04T14:38:29.684893Z",
"structure_string": "Cd4 Sn4 O12\n1.0\n5.543044 -0.000000 0.000000\n0.000000 5.652266 0.000000\n0.000000 0.000000 8.006471\nCd Sn O\n4 4 12\ndirect\n0.010403 0.955243 0.750000 Cd\n0.489596 0.455242 0.750000 Cd\n0.510403 0.544759 0.250000 Cd\n0.989596 0.044758 0.250000 Cd\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.807148 0.803587 0.060924 O\n0.692851 0.303587 0.439076 O\n0.692851 0.303587 0.060924 O\n0.613303 0.053411 0.750000 O\n0.386697 0.946590 0.250000 O\n0.192851 0.196414 0.560924 O\n0.307148 0.696414 0.560924 O\n0.192851 0.196414 0.939076 O\n0.807148 0.803587 0.439076 O\n0.113303 0.446590 0.250000 O\n0.307148 0.696414 0.939076 O\n0.886696 0.553411 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:10.128943Z",
"updated_at": "2022-09-04T14:38:10.128960Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n5.050100 -0.005592 0.000516\n1.598163 4.756393 -0.000661\n2.523991 -0.001122 7.335378\nLi Ti Co O\n4 2 4 10\ndirect\n0.199538 0.999958 0.600904 Li\n0.002604 0.000072 0.994680 Li\n0.700477 0.499945 0.599099 Li\n0.897336 0.500000 0.205322 Li\n0.098853 0.499949 0.802340 Ti\n0.801160 0.999975 0.397660 Ti\n0.302261 0.499955 0.395462 Co\n0.497565 0.500181 0.004789 Co\n0.597717 0.999882 0.804537 Co\n0.402394 0.000019 0.195211 Co\n0.950030 0.749960 0.599983 O\n0.042444 0.235582 0.398382 O\n0.340807 0.735632 0.801602 O\n0.450012 0.249960 0.600018 O\n0.133846 0.757025 0.207186 O\n0.241097 0.257026 0.992813 O\n0.857524 0.264431 0.801644 O\n0.658946 0.243034 0.207181 O\n0.559187 0.764380 0.398373 O\n0.766189 0.743035 0.992819 O\n",
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"formula_full": "Li4 Ti2 Co4 O10",
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{
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"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",
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{
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"created_at": "2022-09-04T14:38:18.723091Z",
"updated_at": "2022-09-04T14:38:18.723110Z",
"structure_string": "Mg4 Se4 O12\n1.0\n5.049728 0.000000 0.000000\n-0.000000 5.926685 0.000000\n0.000000 0.000000 7.700414\nMg Se O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.982398 0.017647 0.250000 Se\n0.482398 0.482352 0.750000 Se\n0.517602 0.517647 0.250000 Se\n0.017602 0.982352 0.750000 Se\n0.823009 0.431083 0.750000 O\n0.323009 0.068917 0.250000 O\n0.858537 0.182052 0.077827 O\n0.358537 0.317947 0.922172 O\n0.641464 0.682052 0.422172 O\n0.358537 0.317947 0.577827 O\n0.141464 0.817947 0.922172 O\n0.641464 0.682052 0.077827 O\n0.176992 0.568916 0.250000 O\n0.858537 0.182052 0.422172 O\n0.141464 0.817947 0.577827 O\n0.676992 0.931083 0.750000 O\n",
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]
}