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{
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"results": [
{
"id": "mp-1209384",
"created_at": "2022-09-04T14:43:53.275494Z",
"structure_string": "Rb6 Zn6 Mo8 O32\n1.0\n-6.099299 6.099299 6.099299\n6.099299 -6.099299 6.099299\n6.099299 6.099299 -6.099299\nRb Zn Mo O\n6 6 8 32\ndirect\n0.625000 0.375000 0.250000 Rb\n0.875000 0.125000 0.750000 Rb\n0.375000 0.250000 0.625000 Rb\n0.125000 0.750000 0.875000 Rb\n0.250000 0.625000 0.375000 Rb\n0.750000 0.875000 0.125000 Rb\n0.125000 0.875000 0.250000 Zn\n0.375000 0.625000 0.750000 Zn\n0.875000 0.250000 0.125000 Zn\n0.625000 0.750000 0.375000 Zn\n0.250000 0.125000 0.875000 Zn\n0.750000 0.375000 0.625000 Zn\n0.214959 0.214959 0.214959 Mo\n0.285041 0.500000 0.000000 Mo\n0.000000 0.285041 0.500000 Mo\n0.714959 0.714959 0.714959 Mo\n0.500000 0.000000 0.285041 Mo\n0.785041 0.500000 0.000000 Mo\n0.500000 0.000000 0.785041 Mo\n0.000000 0.785041 0.500000 Mo\n0.271612 0.140538 0.072403 O\n0.228388 0.300791 0.868926 O\n0.931865 0.359462 0.631074 O\n0.140538 0.072403 0.271612 O\n0.771612 0.572403 0.640538 O\n0.568135 0.199209 0.427597 O\n0.300791 0.868926 0.228388 O\n0.728388 0.368926 0.800791 O\n0.359462 0.631074 0.931865 O\n0.431865 0.131074 0.859462 O\n0.199209 0.427597 0.568135 O\n0.068135 0.927597 0.699209 O\n0.072403 0.271612 0.140538 O\n0.640538 0.771612 0.572403 O\n0.631074 0.931865 0.359462 O\n0.859462 0.431865 0.131074 O\n0.427597 0.568135 0.199209 O\n0.699209 0.068135 0.927597 O\n0.868926 0.228388 0.300791 O\n0.800791 0.728388 0.368926 O\n0.572403 0.640538 0.771612 O\n0.368926 0.800791 0.728388 O\n0.927597 0.699209 0.068135 O\n0.131074 0.859462 0.431865 O\n0.381309 0.381309 0.381309 O\n0.118691 0.500000 0.000000 O\n0.000000 0.118691 0.500000 O\n0.881309 0.881309 0.881309 O\n0.500000 0.000000 0.118691 O\n0.618691 0.500000 0.000000 O\n0.500000 0.000000 0.618691 O\n0.000000 0.618691 0.500000 O\n",
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},
{
"id": "mp-556363",
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"structure_string": "Zn18 S18\n1.0\n1.926978 -3.337624 0.000000\n1.926978 3.337624 0.000000\n0.000000 0.000000 56.689391\nZn S\n18 18\ndirect\n0.000000 0.000000 0.166662 Zn\n0.000000 0.000000 0.444437 Zn\n0.666667 0.333333 0.333331 Zn\n0.000000 0.000000 0.555574 Zn\n0.000000 0.000000 0.722219 Zn\n0.333333 0.666667 0.055561 Zn\n0.333333 0.666667 0.611112 Zn\n0.666667 0.333333 0.111113 Zn\n0.000000 0.000000 0.000013 Zn\n0.333333 0.666667 0.222219 Zn\n0.000000 0.000000 0.277790 Zn\n0.666667 0.333333 0.777792 Zn\n0.666667 0.333333 0.944439 Zn\n0.333333 0.666667 0.388892 Zn\n0.333333 0.666667 0.833333 Zn\n0.666667 0.333333 0.666662 Zn\n0.666667 0.333333 0.499997 Zn\n0.000000 0.000000 0.888886 Zn\n0.000000 0.000000 0.930522 S\n0.000000 0.000000 0.041668 S\n0.666667 0.333333 0.708298 S\n0.000000 0.000000 0.597227 S\n0.333333 0.666667 0.430557 S\n0.000000 0.000000 0.319438 S\n0.666667 0.333333 0.152779 S\n0.666667 0.333333 0.374997 S\n0.333333 0.666667 0.097228 S\n0.666667 0.333333 0.986143 S\n0.666667 0.333333 0.819445 S\n0.000000 0.000000 0.763923 S\n0.333333 0.666667 0.652778 S\n0.000000 0.000000 0.486075 S\n0.666667 0.333333 0.541702 S\n0.333333 0.666667 0.263922 S\n0.000000 0.000000 0.208298 S\n0.333333 0.666667 0.874998 S\n",
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"volume": 729.1988133373108,
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"spacegroup": 156
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{
"id": "mp-1173735",
"created_at": "2022-09-04T14:43:53.284618Z",
"structure_string": "Na2 Co4 H6 Se4 O20\n1.0\n-0.000448 -6.523337 0.000618\n-4.065018 3.261958 -5.730123\n8.175086 0.001122 -3.862363\nNa Co H Se O\n2 4 6 4 20\ndirect\n0.252049 0.504072 0.746800 Na\n0.752029 0.504058 0.246791 Na\n0.249671 0.005914 0.249965 Co\n0.256463 0.005950 0.749933 Co\n0.749847 0.006048 0.749956 Co\n0.756149 0.006019 0.249827 Co\n0.109948 0.219517 0.422143 H\n0.609668 0.219486 0.921983 H\n0.387692 0.776027 0.078233 H\n0.888051 0.776231 0.578240 H\n0.492937 0.986325 0.009331 H\n0.993262 0.986530 0.509287 H\n0.148928 0.297629 0.054411 Se\n0.648924 0.297631 0.554338 Se\n0.355308 0.710551 0.438300 Se\n0.855358 0.710646 0.938377 Se\n0.075834 0.151275 0.881220 O\n0.575631 0.151141 0.381182 O\n0.430836 0.861881 0.608771 O\n0.931152 0.862014 0.108850 O\n0.039637 0.078964 0.385663 O\n0.539200 0.078935 0.885564 O\n0.459126 0.918772 0.109394 O\n0.959486 0.918944 0.609493 O\n0.260232 0.520684 0.020485 O\n0.760470 0.520670 0.520398 O\n0.244558 0.488996 0.474297 O\n0.744332 0.489099 0.974392 O\n0.413475 0.251817 0.648002 O\n0.913336 0.251660 0.148044 O\n0.838624 0.251826 0.648092 O\n0.338659 0.252020 0.148284 O\n0.088892 0.754073 0.842682 O\n0.589062 0.754264 0.342728 O\n0.665142 0.754345 0.842889 O\n0.165031 0.753990 0.342654 O\n",
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"formula_full": "Na2 Co4 H6 Se4 O20",
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"spacegroup": 8
},
{
"id": "mp-1521062",
"created_at": "2022-09-04T14:43:53.288932Z",
"structure_string": "Sr1 Eu1 Zr1 Mn1 O6\n1.0\n0.000000 -4.027273 -4.027273\n4.027273 0.000000 -4.027273\n4.027273 -4.027273 -0.000000\nSr Eu Zr Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Mn\n0.759045 0.240955 0.240955 O\n0.240955 0.759045 0.759045 O\n0.759045 0.240955 0.759045 O\n0.240955 0.759045 0.240955 O\n0.759045 0.759045 0.240955 O\n0.240955 0.240955 0.759045 O\n",
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"volume": 130.6361001689124,
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"formula_full": "Sr1 Eu1 Zr1 Mn1 O6",
"formula_reduced": "SrEuZrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -90.04794256,
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{
"id": "mp-766541",
"created_at": "2022-09-04T14:43:53.296886Z",
"structure_string": "P10 W8 O48\n1.0\n4.258983 8.601900 0.000000\n-4.258983 8.601900 0.000000\n0.000000 7.519648 13.464909\nP W O\n10 8 48\ndirect\n0.816720 0.163422 0.895463 P\n0.839457 0.180656 0.602655 P\n0.246958 0.264157 0.039870 P\n0.264157 0.246958 0.539870 P\n0.598597 0.402210 0.249635 P\n0.402210 0.598597 0.749635 P\n0.739134 0.749950 0.460149 P\n0.749950 0.739134 0.960149 P\n0.180656 0.839457 0.102655 P\n0.163422 0.816720 0.395463 P\n0.854071 0.472927 0.681151 W\n0.521979 0.150774 0.818032 W\n0.100495 0.708519 0.979280 W\n0.293064 0.901847 0.517752 W\n0.901847 0.293064 0.017752 W\n0.708519 0.100495 0.479280 W\n0.472927 0.854071 0.181151 W\n0.150774 0.521979 0.318032 W\n0.422365 0.412507 0.772796 O\n0.745661 0.262911 0.974250 O\n0.742060 0.246631 0.520072 O\n0.668957 0.155630 0.888962 O\n0.845023 0.333723 0.604229 O\n0.727867 0.119696 0.704047 O\n0.893806 0.258711 0.791324 O\n0.143320 0.399227 0.267106 O\n0.051569 0.287785 0.901619 O\n0.118509 0.353314 0.620679 O\n0.186939 0.346713 0.446568 O\n0.251154 0.437345 0.013722 O\n0.982240 0.968921 0.917126 O\n0.023125 0.011710 0.584854 O\n0.412507 0.422365 0.272796 O\n0.437345 0.251154 0.513722 O\n0.346713 0.186939 0.946568 O\n0.353314 0.118509 0.120679 O\n0.287785 0.051569 0.401619 O\n0.399227 0.143320 0.767106 O\n0.306892 0.052965 0.576032 O\n0.946970 0.699530 0.926347 O\n0.717310 0.326140 0.158837 O\n0.677825 0.283513 0.340879 O\n0.283513 0.677825 0.840879 O\n0.326140 0.717310 0.658837 O\n0.699530 0.946970 0.426347 O\n0.052965 0.306892 0.076032 O\n0.596559 0.856716 0.233751 O\n0.713700 0.951531 0.594688 O\n0.650369 0.887705 0.877014 O\n0.653156 0.816289 0.053587 O\n0.574403 0.741957 0.481049 O\n0.011710 0.023125 0.084854 O\n0.968921 0.982240 0.417126 O\n0.592698 0.566589 0.729929 O\n0.741957 0.574403 0.981049 O\n0.816289 0.653156 0.553587 O\n0.887705 0.650369 0.377014 O\n0.951531 0.713700 0.094688 O\n0.856716 0.596559 0.733751 O\n0.258711 0.893806 0.291324 O\n0.119696 0.727867 0.204047 O\n0.333723 0.845023 0.104229 O\n0.155630 0.668957 0.388962 O\n0.246631 0.742060 0.020072 O\n0.262911 0.745661 0.474250 O\n0.566589 0.592698 0.229929 O\n",
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{
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"structure_string": "Cs2 Mg2 I6\n1.0\n4.188643 -7.254943 0.000000\n4.188643 7.254943 0.000000\n0.000000 0.000000 7.120690\nCs Mg I\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.161802 0.838198 0.250000 I\n0.323603 0.161802 0.750000 I\n0.838198 0.676397 0.750000 I\n0.161802 0.323603 0.250000 I\n0.676397 0.838198 0.250000 I\n0.838198 0.161802 0.750000 I\n",
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{
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"structure_string": "Sb8 Pt4\n1.0\n6.548851 0.000000 0.000000\n0.000000 6.548851 0.000000\n0.000000 0.000000 6.548851\nSb Pt\n8 4\ndirect\n0.374716 0.125284 0.874716 Sb\n0.125284 0.874716 0.374716 Sb\n0.874716 0.374716 0.125284 Sb\n0.625284 0.625284 0.625284 Sb\n0.374716 0.374716 0.374716 Sb\n0.125284 0.625284 0.874716 Sb\n0.874716 0.125284 0.625284 Sb\n0.625284 0.874716 0.125284 Sb\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Zr12 Fe2 Cl28\n1.0\n6.595422 -7.349547 0.000000\n6.595422 7.349547 0.000000\n0.000000 0.000000 12.011981\nZr Fe Cl\n12 2 28\ndirect\n0.047504 0.807810 0.381064 Zr\n0.848286 0.848286 0.611246 Zr\n0.151714 0.151714 0.388754 Zr\n0.348286 0.348286 0.888754 Zr\n0.452496 0.692190 0.881064 Zr\n0.651714 0.651714 0.111246 Zr\n0.192190 0.952496 0.618936 Zr\n0.307810 0.547504 0.118936 Zr\n0.547504 0.307810 0.118936 Zr\n0.952496 0.192190 0.618936 Zr\n0.807810 0.047504 0.381064 Zr\n0.692190 0.452496 0.881064 Zr\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.360776 0.117530 0.507870 Cl\n0.100538 0.600538 0.250000 Cl\n0.247882 0.752118 0.500000 Cl\n0.252118 0.747882 0.000000 Cl\n0.752118 0.247882 0.500000 Cl\n0.747882 0.252118 0.000000 Cl\n0.843523 0.843523 0.244289 Cl\n0.656477 0.656477 0.744289 Cl\n0.343523 0.343523 0.255711 Cl\n0.156477 0.156477 0.755711 Cl\n0.600538 0.100538 0.250000 Cl\n0.899462 0.399462 0.750000 Cl\n0.963797 0.207104 0.255186 Cl\n0.536203 0.292896 0.755186 Cl\n0.382470 0.139224 0.007870 Cl\n0.792896 0.036203 0.744814 Cl\n0.036203 0.792896 0.744814 Cl\n0.463797 0.707104 0.244814 Cl\n0.292896 0.536203 0.755186 Cl\n0.207104 0.963797 0.255186 Cl\n0.139224 0.382470 0.007870 Cl\n0.707104 0.463797 0.244814 Cl\n0.882470 0.639224 0.492130 Cl\n0.617530 0.860776 0.992130 Cl\n0.860776 0.617530 0.992130 Cl\n0.639224 0.882470 0.492130 Cl\n0.117530 0.360776 0.507870 Cl\n0.399462 0.899462 0.750000 Cl\n",
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