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{
"id": "mp-1215568",
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"structure_string": "Zr10 Ir4 Os2\n1.0\n4.020254 -6.981585 0.000000\n4.020254 6.981585 0.000000\n0.000000 0.000000 5.586268\nZr Ir Os\n10 4 2\ndirect\n0.666512 0.332538 0.250777 Zr\n0.332538 0.666512 0.250777 Zr\n0.332538 0.666512 0.749223 Zr\n0.666512 0.332538 0.749223 Zr\n0.760928 0.004793 0.500000 Zr\n0.004793 0.760928 0.500000 Zr\n0.240237 0.240237 0.500000 Zr\n0.240653 0.998952 0.000000 Zr\n0.998952 0.240653 0.000000 Zr\n0.757457 0.757457 0.000000 Zr\n0.600608 0.600608 0.500000 Ir\n0.600415 0.999010 0.000000 Ir\n0.999010 0.600415 0.000000 Ir\n0.398724 0.398724 0.000000 Ir\n0.400686 0.999606 0.500000 Os\n0.999606 0.400686 0.500000 Os\n",
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{
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{
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"created_at": "2022-09-04T14:47:11.341946Z",
"structure_string": "Ba12 La4 I36\n1.0\n8.089429 0.000000 0.000000\n0.000000 8.691317 0.000000\n0.000000 1.232457 33.876772\nBa La I\n12 4 36\ndirect\n0.969801 0.678894 0.933002 Ba\n0.002595 0.706318 0.692059 Ba\n0.030199 0.678894 0.433002 Ba\n0.997405 0.706318 0.192059 Ba\n0.985549 0.316717 0.570155 Ba\n0.982199 0.284339 0.808387 Ba\n0.014451 0.316717 0.070155 Ba\n0.017801 0.284339 0.308387 Ba\n0.526526 0.215463 0.692156 Ba\n0.517478 0.178487 0.930740 Ba\n0.473474 0.215463 0.192156 Ba\n0.482522 0.178487 0.430740 Ba\n0.520166 0.797837 0.806520 La\n0.546150 0.821474 0.567181 La\n0.479834 0.797837 0.306520 La\n0.453850 0.821474 0.067181 La\n0.797068 0.978326 0.868491 I\n0.816018 0.983788 0.752557 I\n0.812218 0.992794 0.627407 I\n0.202932 0.978326 0.368491 I\n0.183982 0.983788 0.252557 I\n0.702475 0.890562 0.993682 I\n0.187782 0.992794 0.127407 I\n0.333305 0.846409 0.892420 I\n0.297525 0.890562 0.493682 I\n0.399275 0.841463 0.707674 I\n0.666695 0.846409 0.392420 I\n0.600725 0.841463 0.207674 I\n0.162298 0.646033 0.795980 I\n0.210998 0.650591 0.599242 I\n0.837702 0.646033 0.295980 I\n0.789002 0.650591 0.099242 I\n0.743030 0.588137 0.511106 I\n0.677022 0.508366 0.866900 I\n0.690520 0.514473 0.752174 I\n0.697088 0.527318 0.627858 I\n0.256970 0.588137 0.011106 I\n0.322978 0.508366 0.366900 I\n0.309480 0.514473 0.252174 I\n0.302912 0.527318 0.127858 I\n0.762132 0.397919 0.990244 I\n0.237868 0.397919 0.490244 I\n0.150760 0.343734 0.900767 I\n0.111440 0.322152 0.698721 I\n0.849240 0.343734 0.400767 I\n0.888560 0.322152 0.198721 I\n0.392801 0.147657 0.797503 I\n0.355919 0.124201 0.598567 I\n0.607199 0.147657 0.297503 I\n0.644081 0.124201 0.098567 I\n0.755334 0.065817 0.510318 I\n0.244666 0.065817 0.010318 I\n",
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"formula_full": "Ba12 La4 I36",
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{
"id": "mp-686371",
"created_at": "2022-09-04T14:47:01.707742Z",
"structure_string": "Na11 La7 Th2 Ti20 O60\n1.0\n-5.508181 0.000000 0.000000\n-0.019725 -5.508622 0.000000\n-0.014871 -0.039577 38.841877\nNa La Th Ti O\n11 7 2 20 60\ndirect\n0.010718 0.007287 0.150559 Na\n0.014390 0.007168 0.347961 Na\n0.013933 0.005410 0.553619 Na\n0.006148 0.007318 0.748722 Na\n0.005751 0.006902 0.948896 Na\n0.495515 0.506650 0.049010 Na\n0.501347 0.508882 0.647380 Na\n0.502438 0.505988 0.253632 Na\n0.494076 0.507274 0.848876 Na\n0.513409 0.493871 0.345573 Na\n0.513811 0.496785 0.556103 Na\n0.505874 0.494279 0.748674 La\n0.506677 0.494508 0.949060 La\n0.999934 0.995844 0.252807 La\n0.991503 0.994044 0.048620 La\n0.001535 0.994612 0.648396 La\n0.995231 0.999377 0.450043 La\n0.992814 0.994300 0.848970 La\n0.490036 0.498990 0.450175 Th\n0.524664 0.494959 0.150600 Th\n0.999934 0.509599 0.999049 Ti\n0.007946 0.508798 0.099714 Ti\n0.011270 0.505687 0.200915 Ti\n0.012215 0.503738 0.301504 Ti\n0.000663 0.495066 0.396297 Ti\n0.999385 0.510254 0.798696 Ti\n0.502957 0.006145 0.099217 Ti\n0.498457 0.006606 0.998872 Ti\n0.498738 0.999614 0.504228 Ti\n0.511979 0.004751 0.301770 Ti\n0.506851 0.002408 0.201705 Ti\n0.515763 0.004954 0.599017 Ti\n0.500430 0.010638 0.898774 Ti\n0.501518 0.999937 0.396037 Ti\n0.504750 0.008766 0.698415 Ti\n0.498474 0.006365 0.798585 Ti\n0.997598 0.496199 0.504013 Ti\n0.004523 0.505978 0.698683 Ti\n0.015745 0.500764 0.599119 Ti\n0.001797 0.506625 0.898776 Ti\n0.000676 0.420457 0.051371 O\n0.995404 0.426826 0.248711 O\n0.006903 0.430232 0.449366 O\n0.995327 0.428017 0.650375 O\n0.002118 0.422945 0.850912 O\n0.262475 0.266829 0.189342 O\n0.244111 0.249372 0.593554 O\n0.259286 0.258916 0.394523 O\n0.264263 0.266901 0.110533 O\n0.243165 0.246379 0.305767 O\n0.255399 0.252868 0.792896 O\n0.255113 0.251877 0.993074 O\n0.258892 0.259122 0.504299 O\n0.253682 0.253389 0.708318 O\n0.256801 0.253064 0.908679 O\n0.239702 0.757280 0.206482 O\n0.242051 0.751962 0.008700 O\n0.238413 0.759006 0.092794 O\n0.238491 0.750217 0.291610 O\n0.250316 0.748112 0.488831 O\n0.243305 0.750564 0.692988 O\n0.237664 0.753221 0.608002 O\n0.250642 0.747923 0.410699 O\n0.243506 0.752032 0.893047 O\n0.242244 0.753037 0.808426 O\n0.494214 0.907179 0.149690 O\n0.488197 0.921606 0.350398 O\n0.487993 0.922386 0.549242 O\n0.496334 0.923821 0.750768 O\n0.497133 0.922694 0.951057 O\n0.500892 0.069077 0.051125 O\n0.493818 0.069236 0.248927 O\n0.495488 0.069081 0.650420 O\n0.493356 0.082117 0.449379 O\n0.502870 0.067412 0.850846 O\n0.747518 0.248280 0.109725 O\n0.747158 0.248296 0.190318 O\n0.753704 0.235187 0.305982 O\n0.750225 0.244387 0.708121 O\n0.757974 0.239271 0.395305 O\n0.753802 0.237626 0.593404 O\n0.756585 0.240424 0.503581 O\n0.752146 0.243143 0.793007 O\n0.752442 0.243154 0.908462 O\n0.752070 0.241898 0.993222 O\n0.742042 0.745011 0.092594 O\n0.745925 0.742975 0.008600 O\n0.740264 0.745177 0.206758 O\n0.746827 0.750303 0.291167 O\n0.738247 0.739200 0.488397 O\n0.745245 0.745400 0.693001 O\n0.738243 0.739043 0.411098 O\n0.746762 0.752699 0.608470 O\n0.746664 0.744024 0.808458 O\n0.746880 0.742997 0.893120 O\n0.975156 0.572592 0.149808 O\n0.986684 0.575891 0.350377 O\n0.985949 0.576000 0.549119 O\n0.994573 0.567863 0.750677 O\n0.995875 0.566662 0.951018 O\n",
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{
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"structure_string": "Dy1 Lu1 In2\n1.0\n0.000000 3.725304 3.725304\n3.725304 0.000000 3.725304\n3.725304 3.725304 0.000000\nDy Lu In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
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{
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"structure_string": "K4 Ba4 La4 Mn4 O24\n1.0\n8.537790 0.000000 0.000000\n0.000000 8.567315 0.000000\n0.000000 0.000000 8.579058\nK Ba La Mn O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 -0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.250000 Mn\n0.750000 0.250000 0.750000 Mn\n0.250000 0.750000 0.750000 Mn\n0.024417 0.232147 0.257560 O\n0.975583 0.767853 0.257560 O\n0.975583 0.232147 0.742440 O\n0.024417 0.767853 0.742440 O\n0.248593 0.025217 0.241611 O\n0.248593 0.974783 0.758389 O\n0.751407 0.974783 0.241611 O\n0.751407 0.025217 0.758389 O\n0.242233 0.257713 0.026224 O\n0.757767 0.257713 0.973776 O\n0.242233 0.742286 0.973776 O\n0.757767 0.742286 0.026224 O\n0.475583 0.267853 0.242440 O\n0.524417 0.732147 0.242440 O\n0.524417 0.267853 0.757560 O\n0.475583 0.732147 0.757560 O\n0.251407 0.474783 0.258389 O\n0.251407 0.525217 0.741611 O\n0.748593 0.525217 0.258389 O\n0.748593 0.474783 0.741611 O\n0.257767 0.242286 0.473776 O\n0.742233 0.242286 0.526224 O\n0.257767 0.757714 0.526224 O\n0.742233 0.757714 0.473776 O\n",
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{
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"structure_string": "Sr2 Cu2 Ni1 S2 O2\n1.0\n-1.939183 1.939183 9.342096\n1.939183 -1.939183 9.342096\n1.939183 1.939183 -9.342096\nSr Cu Ni S O\n2 2 1 2 2\ndirect\n0.591549 0.591549 0.000000 Sr\n0.408451 0.408451 0.000000 Sr\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Ni\n0.826147 0.826147 0.000000 S\n0.173853 0.173853 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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{
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}