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{
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{
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{
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"structure_string": "Y1 Hg1 B1\n1.0\n0.000000 3.069285 3.069285\n3.069285 0.000000 3.069285\n3.069285 3.069285 0.000000\nY Hg B\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 B\n",
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{
"id": "mp-1209183",
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"structure_string": "Sm6 Co16 Sn8\n1.0\n0.000000 0.000000 -7.604910\n-4.467870 -7.738578 0.000000\n-4.467870 7.738578 0.000000\nSm Co Sn\n6 16 8\ndirect\n0.783827 0.475359 0.950717 Sm\n0.783827 0.475359 0.524641 Sm\n0.283827 0.524641 0.049283 Sm\n0.783827 0.049283 0.524641 Sm\n0.283827 0.524641 0.475359 Sm\n0.283827 0.950717 0.475359 Sm\n0.618093 0.666667 0.333333 Co\n0.118093 0.333333 0.666667 Co\n0.755928 0.095925 0.191850 Co\n0.755928 0.095925 0.904075 Co\n0.255928 0.904075 0.808150 Co\n0.755928 0.808150 0.904075 Co\n0.255928 0.904075 0.095925 Co\n0.255928 0.191850 0.095925 Co\n0.946449 0.843016 0.686031 Co\n0.946449 0.843016 0.156984 Co\n0.446449 0.156984 0.313969 Co\n0.946449 0.313969 0.156984 Co\n0.446449 0.156984 0.843016 Co\n0.446449 0.686031 0.843016 Co\n0.000289 0.000000 0.000000 Co\n0.500289 0.000000 0.000000 Co\n0.968349 0.666667 0.333333 Sn\n0.468349 0.333333 0.666667 Sn\n0.573252 0.829732 0.659463 Sn\n0.573252 0.829732 0.170268 Sn\n0.073252 0.170268 0.340537 Sn\n0.573252 0.340537 0.170268 Sn\n0.073252 0.170268 0.829732 Sn\n0.073252 0.659463 0.829732 Sn\n",
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"formula_full": "Sm6 Co16 Sn8",
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{
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"created_at": "2022-09-04T14:47:46.753503Z",
"structure_string": "Re4 Cl12 O8\n1.0\n8.467082 0.000000 0.000000\n0.000000 8.521159 0.000000\n0.000000 0.000000 8.535623\nRe Cl O\n4 12 8\ndirect\n0.000000 0.266994 0.569270 Re\n0.500000 0.766994 0.930730 Re\n0.000000 0.733006 0.430730 Re\n0.500000 0.233006 0.069270 Re\n0.000000 0.380586 0.812504 Cl\n0.500000 0.736472 0.197619 Cl\n0.500000 0.263528 0.802381 Cl\n0.190178 0.500000 0.500000 Cl\n0.500000 0.119414 0.312504 Cl\n0.309822 0.000000 0.000000 Cl\n0.000000 0.763528 0.697619 Cl\n0.809822 0.500000 0.500000 Cl\n0.000000 0.619414 0.187496 Cl\n0.000000 0.236472 0.302381 Cl\n0.690178 0.000000 0.000000 Cl\n0.500000 0.880586 0.687496 Cl\n0.838511 0.150312 0.602244 O\n0.661489 0.650312 0.897756 O\n0.661489 0.349688 0.102244 O\n0.338511 0.349688 0.102244 O\n0.338511 0.650312 0.897756 O\n0.161489 0.849688 0.397756 O\n0.838511 0.849688 0.397756 O\n0.161489 0.150312 0.602244 O\n",
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"formula_full": "Re4 Cl12 O8",
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{
"id": "mp-1394225",
"created_at": "2022-09-04T14:47:56.227841Z",
"structure_string": "Mg2 Ni4 O10\n1.0\n3.131215 0.000000 0.000000\n0.000000 5.294911 0.000000\n0.000000 0.000000 10.940831\nMg Ni O\n2 4 10\ndirect\n0.500000 0.122548 0.000000 Mg\n0.000000 0.877452 0.500000 Mg\n0.000000 0.545556 0.854349 Ni\n0.500000 0.454444 0.645651 Ni\n0.500000 0.454444 0.354349 Ni\n0.000000 0.545556 0.145651 Ni\n0.500000 0.623433 0.500000 O\n0.000000 0.376567 0.000000 O\n0.500000 0.340827 0.806816 O\n0.000000 0.659173 0.693184 O\n0.500000 0.340827 0.193184 O\n0.000000 0.659173 0.306816 O\n0.000000 0.877657 0.068937 O\n0.500000 0.122343 0.431063 O\n0.500000 0.122343 0.568937 O\n0.000000 0.877657 0.931063 O\n",
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{
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"structure_string": "Sr3 Ca1 Mn2 S2 O5\n1.0\n-1.986960 1.986960 14.380009\n1.986960 -1.986960 14.380009\n1.986960 1.986960 -14.380009\nSr Ca Mn S O\n3 1 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.630772 0.630772 0.000000 Sr\n0.369228 0.369228 0.000000 Sr\n0.750000 0.250000 0.500000 Ca\n0.068189 0.068189 0.000000 Mn\n0.931811 0.931811 0.000000 Mn\n0.184780 0.184780 0.000000 S\n0.815220 0.815220 0.000000 S\n0.075073 0.575073 0.500000 O\n0.575313 0.075313 0.500000 O\n0.924687 0.424687 0.500000 O\n0.424927 0.924927 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Li16 Ni16 P16 O64\n1.0\n4.947114 8.614341 0.000000\n-4.947114 8.614341 0.000000\n0.000000 3.014807 16.238004\nLi Ni P O\n16 16 16 64\ndirect\n0.882771 0.266446 0.127498 Li\n0.440786 0.773453 0.126158 Li\n0.266446 0.882771 0.627498 Li\n0.773453 0.440786 0.626158 Li\n0.993029 0.335772 0.377851 Li\n0.503938 0.890275 0.377350 Li\n0.335772 0.993029 0.877851 Li\n0.890275 0.503938 0.877350 Li\n0.380095 0.279208 0.126863 Li\n0.936494 0.782583 0.123965 Li\n0.279208 0.380095 0.626863 Li\n0.782583 0.936494 0.623965 Li\n0.999567 0.831963 0.375951 Li\n0.498892 0.393077 0.381177 Li\n0.831963 0.999567 0.875951 Li\n0.393077 0.498892 0.881177 Li\n0.203907 0.807460 0.003470 Ni\n0.807460 0.203907 0.503470 Ni\n0.700447 0.589689 0.246889 Ni\n0.244451 0.087784 0.246134 Ni\n0.144992 0.307505 0.001744 Ni\n0.702192 0.804837 0.005484 Ni\n0.589689 0.700447 0.746889 Ni\n0.087784 0.244451 0.746134 Ni\n0.307505 0.144992 0.501744 Ni\n0.804837 0.702192 0.505484 Ni\n0.185376 0.564962 0.257080 Ni\n0.745265 0.095140 0.248126 Ni\n0.653359 0.301484 0.007560 Ni\n0.564962 0.185376 0.757080 Ni\n0.095140 0.745265 0.748126 Ni\n0.301484 0.653359 0.507560 Ni\n0.100372 0.912586 0.191713 P\n0.912586 0.100372 0.691713 P\n0.162138 0.990314 0.436924 P\n0.658189 0.546309 0.439582 P\n0.990314 0.162138 0.936924 P\n0.546309 0.658189 0.939582 P\n0.039658 0.419463 0.187414 P\n0.598091 0.923029 0.192155 P\n0.419463 0.039658 0.687414 P\n0.923029 0.598091 0.692155 P\n0.158831 0.489996 0.442284 P\n0.663253 0.044000 0.439548 P\n0.489996 0.158831 0.942284 P\n0.044001 0.663253 0.939548 P\n0.538499 0.422449 0.194136 P\n0.422449 0.538499 0.694136 P\n0.954019 0.074548 0.207349 O\n0.425294 0.745573 0.011933 O\n0.535023 0.578297 0.199350 O\n0.496934 0.560853 0.434589 O\n0.986582 0.237369 0.014454 O\n0.247922 0.932144 0.182637 O\n0.074548 0.954019 0.707349 O\n0.999624 0.138870 0.428512 O\n0.745573 0.425294 0.511933 O\n0.578297 0.535023 0.699350 O\n0.560853 0.496934 0.934589 O\n0.762878 0.485776 0.358517 O\n0.274762 0.993720 0.361215 O\n0.879787 0.435717 0.177465 O\n0.237369 0.986582 0.514454 O\n0.932144 0.247922 0.682637 O\n0.138870 0.999624 0.928512 O\n0.602648 0.840775 0.117895 O\n0.634524 0.707982 0.453972 O\n0.110844 0.313888 0.267225 O\n0.603101 0.811243 0.270433 O\n0.485776 0.762878 0.858517 O\n0.993720 0.274762 0.861215 O\n0.435717 0.879787 0.677465 O\n0.158903 0.336375 0.114162 O\n0.445372 0.082337 0.200980 O\n0.135099 0.344725 0.454695 O\n0.840775 0.602648 0.617895 O\n0.707982 0.634524 0.953972 O\n0.313888 0.110844 0.767225 O\n0.811243 0.603101 0.770433 O\n0.922978 0.744190 0.012957 O\n0.019981 0.582669 0.193851 O\n0.336375 0.158903 0.614162 O\n0.504141 0.056309 0.430519 O\n0.494159 0.232730 0.017706 O\n0.741681 0.949102 0.179219 O\n0.082337 0.445372 0.700980 O\n0.997226 0.638459 0.429927 O\n0.344725 0.135099 0.954695 O\n0.744190 0.922978 0.512957 O\n0.582669 0.019981 0.693851 O\n0.056309 0.504141 0.930519 O\n0.272216 0.484391 0.364926 O\n0.774632 0.985230 0.360544 O\n0.373817 0.454286 0.179734 O\n0.232730 0.494159 0.517706 O\n0.949102 0.741681 0.679219 O\n0.638459 0.997226 0.929927 O\n0.092780 0.854552 0.111516 O\n0.633946 0.206975 0.455872 O\n0.103553 0.790885 0.263973 O\n0.598581 0.313805 0.274227 O\n0.484391 0.272216 0.864926 O\n0.985230 0.774632 0.860544 O\n0.657215 0.329709 0.122233 O\n0.454286 0.373817 0.679734 O\n0.142852 0.842947 0.445863 O\n0.854552 0.092780 0.611516 O\n0.206975 0.633946 0.955872 O\n0.790885 0.103553 0.763973 O\n0.313805 0.598581 0.774227 O\n0.329709 0.657215 0.622233 O\n0.842947 0.142852 0.945863 O\n",
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{
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"formula_full": "Al4 H48 N12 O60",
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{
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{
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{
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}