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{
"id": "mp-22959",
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{
"id": "mp-569754",
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"structure_string": "Ba28 Sn12 Se52\n1.0\n9.423619 0.000000 0.000000\n0.000000 12.915345 0.000000\n0.000000 0.000000 25.418879\nBa Sn Se\n28 12 52\ndirect\n0.896635 0.343447 0.843406 Ba\n0.913448 0.024306 0.158661 Ba\n0.603365 0.843447 0.656594 Ba\n0.880021 0.312568 0.030290 Ba\n0.103365 0.656553 0.156594 Ba\n0.913448 0.024306 0.341339 Ba\n0.396635 0.156553 0.343406 Ba\n0.586552 0.524306 0.341339 Ba\n0.119979 0.687432 0.530290 Ba\n0.602122 0.146169 0.750000 Ba\n0.397878 0.853831 0.250000 Ba\n0.896635 0.343447 0.656594 Ba\n0.396635 0.156553 0.156594 Ba\n0.102122 0.353831 0.250000 Ba\n0.380021 0.187432 0.530290 Ba\n0.880021 0.312568 0.469710 Ba\n0.086552 0.975694 0.841339 Ba\n0.413448 0.475694 0.658661 Ba\n0.619979 0.812568 0.030290 Ba\n0.619979 0.812568 0.469710 Ba\n0.603365 0.843447 0.843406 Ba\n0.413448 0.475694 0.841339 Ba\n0.119979 0.687432 0.969710 Ba\n0.103365 0.656553 0.343406 Ba\n0.086552 0.975694 0.658661 Ba\n0.897878 0.646169 0.750000 Ba\n0.586552 0.524306 0.158661 Ba\n0.380021 0.187432 0.969710 Ba\n0.800651 0.049344 0.947592 Sn\n0.800651 0.049344 0.552408 Sn\n0.806251 0.742979 0.250000 Sn\n0.199349 0.950656 0.447592 Sn\n0.300651 0.450656 0.447592 Sn\n0.693749 0.242979 0.250000 Sn\n0.193749 0.257021 0.750000 Sn\n0.699349 0.549344 0.552408 Sn\n0.199349 0.950656 0.052408 Sn\n0.699349 0.549344 0.947592 Sn\n0.306251 0.757021 0.750000 Sn\n0.300651 0.450656 0.052408 Sn\n0.333153 0.216370 0.832148 Se\n0.166847 0.716370 0.832148 Se\n0.833153 0.283630 0.332148 Se\n0.012803 0.166277 0.572762 Se\n0.689083 0.079115 0.461760 Se\n0.639876 0.358920 0.927281 Se\n0.360124 0.641080 0.427281 Se\n0.535537 0.649851 0.750000 Se\n0.189083 0.420885 0.538240 Se\n0.512803 0.333723 0.427238 Se\n0.358651 0.953101 0.750000 Se\n0.512803 0.333723 0.072762 Se\n0.987197 0.833723 0.427238 Se\n0.833153 0.283630 0.167852 Se\n0.360124 0.641080 0.072719 Se\n0.641349 0.046899 0.250000 Se\n0.668616 0.395729 0.750000 Se\n0.168616 0.104271 0.250000 Se\n0.666847 0.783630 0.167852 Se\n0.831384 0.895729 0.750000 Se\n0.189083 0.420885 0.961760 Se\n0.109120 0.408016 0.120892 Se\n0.639876 0.358920 0.572719 Se\n0.390880 0.908016 0.120892 Se\n0.166847 0.716370 0.667852 Se\n0.333153 0.216370 0.667852 Se\n0.609120 0.091984 0.879108 Se\n0.858651 0.546899 0.250000 Se\n0.331384 0.604271 0.250000 Se\n0.666847 0.783630 0.332148 Se\n0.890880 0.591984 0.620892 Se\n0.860124 0.858920 0.927281 Se\n0.310917 0.920885 0.538240 Se\n0.487197 0.666277 0.572762 Se\n0.964463 0.149851 0.750000 Se\n0.487197 0.666277 0.927238 Se\n0.689083 0.079115 0.038240 Se\n0.141349 0.453101 0.750000 Se\n0.860124 0.858920 0.572719 Se\n0.890880 0.591984 0.879108 Se\n0.810917 0.579115 0.461760 Se\n0.310917 0.920885 0.961760 Se\n0.609120 0.091984 0.620892 Se\n0.810917 0.579115 0.038240 Se\n0.035537 0.850149 0.250000 Se\n0.987197 0.833723 0.072762 Se\n0.464463 0.350149 0.250000 Se\n0.139876 0.141080 0.072719 Se\n0.390880 0.908016 0.379108 Se\n0.012803 0.166277 0.927238 Se\n0.109120 0.408016 0.379108 Se\n0.139876 0.141080 0.427281 Se\n",
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"spacegroup": 62
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{
"id": "mp-1192067",
"created_at": "2022-09-04T14:39:07.355856Z",
"structure_string": "Tl4 Pd2 C8 N8\n1.0\n6.240177 0.000000 -1.649683\n0.000000 7.893724 0.000000\n-0.041240 0.000000 9.796165\nTl Pd C N\n4 2 8 8\ndirect\n0.275407 0.647128 0.582556 Tl\n0.775407 0.852872 0.082556 Tl\n0.724593 0.352872 0.417444 Tl\n0.224593 0.147128 0.917444 Tl\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.300140 0.158437 0.560393 C\n0.800140 0.341563 0.060393 C\n0.699860 0.841563 0.439607 C\n0.199860 0.658437 0.939607 C\n0.312446 0.001942 0.303115 C\n0.812446 0.498058 0.803115 C\n0.687554 0.998058 0.696885 C\n0.187554 0.501942 0.196885 C\n0.184955 0.253258 0.597086 N\n0.684955 0.246742 0.097086 N\n0.815045 0.746741 0.402914 N\n0.315045 0.753259 0.902914 N\n0.202371 0.002554 0.187067 N\n0.702371 0.497446 0.687067 N\n0.797629 0.997446 0.812933 N\n0.297629 0.502554 0.312933 N\n",
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"volume": 482.00476402260176,
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"formula_reduced": "Tl2Pd(CN)4",
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{
"id": "mp-1078879",
"created_at": "2022-09-04T14:39:10.019563Z",
"structure_string": "Li2 Pr2 Sn4\n1.0\n2.246813 -9.673015 0.000000\n2.246813 9.673015 0.000000\n0.000000 0.000000 4.575159\nLi Pr Sn\n2 2 4\ndirect\n0.674118 0.325882 0.750000 Li\n0.325882 0.674118 0.250000 Li\n0.894359 0.105641 0.750000 Pr\n0.105641 0.894359 0.250000 Pr\n0.543317 0.456683 0.750000 Sn\n0.456683 0.543317 0.250000 Sn\n0.250642 0.749358 0.750000 Sn\n0.749358 0.250642 0.250000 Sn\n",
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{
"id": "mp-22627",
"created_at": "2022-09-04T14:39:07.362363Z",
"structure_string": "Dy4 Ga18 Ru6\n1.0\n3.793914 -6.446143 0.000000\n3.793914 6.446143 0.000000\n0.000000 0.000000 9.727566\nDy Ga Ru\n4 18 6\ndirect\n0.324284 0.002167 0.750000 Dy\n0.675716 0.997833 0.250000 Dy\n0.002167 0.324284 0.750000 Dy\n0.997833 0.675716 0.250000 Dy\n0.866735 0.866735 0.750000 Ga\n0.133265 0.133265 0.250000 Ga\n0.662320 0.662320 0.438665 Ga\n0.337680 0.337680 0.938665 Ga\n0.662320 0.662320 0.061335 Ga\n0.337680 0.337680 0.561335 Ga\n0.444433 0.659769 0.750000 Ga\n0.555567 0.340231 0.250000 Ga\n0.659769 0.444433 0.750000 Ga\n0.340231 0.555567 0.250000 Ga\n0.009415 0.338193 0.077266 Ga\n0.990585 0.661807 0.577266 Ga\n0.338193 0.009415 0.422734 Ga\n0.661807 0.990585 0.922734 Ga\n0.990585 0.661807 0.922734 Ga\n0.009415 0.338193 0.422734 Ga\n0.661807 0.990585 0.577266 Ga\n0.338193 0.009415 0.077266 Ga\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.676320 0.323680 0.500000 Ru\n0.323680 0.676320 0.000000 Ru\n0.323680 0.676320 0.500000 Ru\n0.676320 0.323680 0.000000 Ru\n",
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{
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"structure_string": "Ba1 Ga4\n1.0\n-2.310546 2.310546 5.446370\n2.310546 -2.310546 5.446370\n2.310546 2.310546 -5.446370\nBa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.621088 0.621088 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.378912 0.378912 0.000000 Ga\n",
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{
"id": "mp-1077071",
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"structure_string": "Gd1 Co5\n1.0\n2.470196 -4.278505 0.000000\n2.470196 4.278505 0.000000\n0.000000 0.000000 3.942933\nGd Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Gd\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
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{
"id": "mp-1204902",
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"structure_string": "Nd20 Pb16\n1.0\n8.425718 0.000000 0.000000\n0.000000 8.575595 0.000000\n0.000000 0.000000 16.216614\nNd Pb\n20 16\ndirect\n0.625120 0.160612 0.619036 Nd\n0.125120 0.339388 0.880964 Nd\n0.374880 0.839388 0.119036 Nd\n0.874880 0.660612 0.380964 Nd\n0.374880 0.839388 0.380964 Nd\n0.874880 0.660612 0.119036 Nd\n0.625120 0.160612 0.880964 Nd\n0.125120 0.339388 0.619036 Nd\n0.470256 0.679258 0.600775 Nd\n0.970256 0.820742 0.899225 Nd\n0.529744 0.320742 0.100775 Nd\n0.029744 0.179258 0.399225 Nd\n0.529744 0.320742 0.399225 Nd\n0.029744 0.179258 0.100775 Nd\n0.470256 0.679258 0.899225 Nd\n0.970256 0.820742 0.600775 Nd\n0.793192 0.497626 0.750000 Nd\n0.293192 0.002374 0.750000 Nd\n0.206808 0.502374 0.250000 Nd\n0.706808 0.997626 0.250000 Nd\n0.717274 0.967896 0.456704 Pb\n0.217274 0.532104 0.043296 Pb\n0.282726 0.032104 0.956704 Pb\n0.782726 0.467896 0.543296 Pb\n0.282726 0.032104 0.543296 Pb\n0.782726 0.467896 0.956704 Pb\n0.717274 0.967896 0.043296 Pb\n0.217274 0.532104 0.456704 Pb\n0.427870 0.375215 0.750000 Pb\n0.927870 0.124785 0.750000 Pb\n0.572130 0.624785 0.250000 Pb\n0.072130 0.875215 0.250000 Pb\n0.662498 0.852222 0.750000 Pb\n0.162498 0.647778 0.750000 Pb\n0.337502 0.147778 0.250000 Pb\n0.837502 0.352222 0.250000 Pb\n",
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{
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