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{
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{
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{
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{
"id": "mp-1213765",
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"structure_string": "Cr1 H14 N3 O8\n1.0\n-3.545822 -3.545822 4.453560\n-3.545822 3.545822 -4.453560\n3.545822 -3.545822 -4.453560\nCr H N O\n1 14 3 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.612566 0.612566 H\n0.000000 0.387434 0.387434 H\n0.664139 0.322027 0.322027 H\n0.335861 0.657888 0.657888 H\n0.000000 0.342112 0.677973 H\n0.000000 0.677973 0.342112 H\n0.586659 0.782317 0.432899 H\n0.413341 0.846240 0.195659 H\n0.650581 0.804341 0.217683 H\n0.650581 0.217683 0.804341 H\n0.349419 0.567101 0.153760 H\n0.349419 0.153760 0.567101 H\n0.413341 0.195659 0.846240 H\n0.586659 0.432899 0.782317 H\n0.500000 0.750000 0.250000 N\n0.500000 0.250000 0.750000 N\n0.000000 0.500000 0.500000 N\n0.685820 0.707979 0.707979 O\n0.314180 0.022159 0.022159 O\n0.000000 0.977841 0.292021 O\n0.000000 0.292021 0.977841 O\n0.538680 0.780327 0.780327 O\n0.461320 0.241646 0.241646 O\n0.000000 0.758354 0.219673 O\n0.000000 0.219673 0.758354 O\n",
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{
"id": "mp-744002",
"created_at": "2022-09-04T14:40:31.261097Z",
"structure_string": "Co2 H32 C6 N16 O14\n1.0\n5.497708 6.146390 0.000000\n-5.497708 6.146390 0.000000\n0.000000 5.299069 8.923411\nCo H C N O\n2 32 6 16 14\ndirect\n0.922774 0.072964 0.005750 Co\n0.072964 0.922774 0.505750 Co\n0.621673 0.985376 0.002013 H\n0.985376 0.621673 0.502013 H\n0.774317 0.903397 0.888646 H\n0.903397 0.774317 0.388646 H\n0.644266 0.654590 0.109415 H\n0.654590 0.644266 0.609415 H\n0.141054 0.859565 0.893253 H\n0.859565 0.141054 0.393253 H\n0.148134 0.042702 0.744688 H\n0.042702 0.148134 0.244688 H\n0.411436 0.984899 0.825201 H\n0.984899 0.411436 0.325201 H\n0.032442 0.394408 0.779017 H\n0.394408 0.032442 0.279017 H\n0.859861 0.322700 0.765663 H\n0.322700 0.859861 0.265663 H\n0.753846 0.538294 0.870791 H\n0.538294 0.753846 0.370791 H\n0.319043 0.530772 0.075667 H\n0.530772 0.319043 0.575667 H\n0.421739 0.613346 0.891608 H\n0.613346 0.421739 0.391608 H\n0.358027 0.393140 0.979322 H\n0.393140 0.358027 0.479322 H\n0.070727 0.471733 0.025925 H\n0.471733 0.070727 0.525925 H\n0.178323 0.593275 0.850013 H\n0.593275 0.178323 0.350013 H\n0.143644 0.749523 0.178405 H\n0.749523 0.143644 0.678405 H\n0.227288 0.605506 0.283571 H\n0.605506 0.227288 0.783571 H\n0.816527 0.708598 0.190492 C\n0.708598 0.816527 0.690492 C\n0.284600 0.134707 0.952080 C\n0.134707 0.284600 0.452080 C\n0.687813 0.336519 0.074019 C\n0.336519 0.687813 0.574019 C\n0.737632 0.920464 0.989330 N\n0.920464 0.737632 0.489330 N\n0.710446 0.754989 0.108009 N\n0.754989 0.710446 0.608009 N\n0.145351 0.995029 0.853009 N\n0.995029 0.145351 0.353009 N\n0.300873 0.056472 0.851649 N\n0.056472 0.300873 0.351649 N\n0.911765 0.329872 0.840172 N\n0.329872 0.911765 0.340172 N\n0.800324 0.424713 0.926781 N\n0.424713 0.800324 0.426781 N\n0.323498 0.519842 0.978280 N\n0.519842 0.323498 0.478280 N\n0.159265 0.575557 0.958682 N\n0.575557 0.159265 0.458682 N\n0.921734 0.826472 0.173849 O\n0.826472 0.921734 0.673849 O\n0.798724 0.552348 0.285710 O\n0.552348 0.798724 0.785710 O\n0.130987 0.167465 0.030917 O\n0.167465 0.130987 0.530917 O\n0.426579 0.177143 0.956919 O\n0.177143 0.426579 0.456919 O\n0.715334 0.173448 0.139209 O\n0.173448 0.715334 0.639209 O\n0.570351 0.424094 0.135171 O\n0.424094 0.570351 0.635171 O\n0.257558 0.708280 0.187145 O\n0.708280 0.257558 0.687145 O\n",
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"formula_full": "Co2 H32 C6 N16 O14",
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{
"id": "mp-1194505",
"created_at": "2022-09-04T14:46:09.615965Z",
"structure_string": "Al2 Ni18 B16\n1.0\n3.560470 -4.055555 0.000000\n3.560470 4.055555 0.000000\n0.000000 0.000000 10.740959\nAl Ni B\n2 18 16\ndirect\n0.917722 0.082278 0.750000 Al\n0.082278 0.917722 0.250000 Al\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.712700 0.287300 0.919037 Ni\n0.287300 0.712700 0.080963 Ni\n0.712700 0.287300 0.580963 Ni\n0.287300 0.712700 0.419037 Ni\n0.398169 0.049522 0.750000 Ni\n0.049522 0.398169 0.250000 Ni\n0.601831 0.950478 0.250000 Ni\n0.950478 0.601831 0.750000 Ni\n0.623016 0.758842 0.885733 Ni\n0.758842 0.623016 0.114267 Ni\n0.623016 0.758842 0.614267 Ni\n0.758842 0.623016 0.385733 Ni\n0.376984 0.241158 0.114267 Ni\n0.241158 0.376984 0.885733 Ni\n0.376984 0.241158 0.385733 Ni\n0.241158 0.376984 0.614267 Ni\n0.569856 0.430144 0.750000 B\n0.430144 0.569856 0.250000 B\n0.354878 0.645122 0.750000 B\n0.645122 0.354878 0.250000 B\n0.779784 0.220216 0.379722 B\n0.220216 0.779784 0.620278 B\n0.779784 0.220216 0.120278 B\n0.220216 0.779784 0.879722 B\n0.383013 0.041078 0.948627 B\n0.041078 0.383013 0.051373 B\n0.383013 0.041078 0.551373 B\n0.041078 0.383013 0.448627 B\n0.616987 0.958922 0.051373 B\n0.958922 0.616987 0.948627 B\n0.616987 0.958922 0.448627 B\n0.958922 0.616987 0.551373 B\n",
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{
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"structure_string": "Li8 Cr4 O12\n1.0\n4.939877 0.000000 0.000000\n0.000000 4.999097 0.000000\n0.000000 0.000000 8.374575\nLi Cr O\n8 4 12\ndirect\n0.000000 0.750000 0.072628 Li\n0.500000 0.750000 0.427372 Li\n0.500000 0.750000 0.736776 Li\n0.000000 0.750000 0.763224 Li\n0.500000 0.250000 0.263224 Li\n0.000000 0.250000 0.236776 Li\n0.000000 0.250000 0.927372 Li\n0.500000 0.250000 0.572628 Li\n0.500000 0.750000 0.087123 Cr\n0.000000 0.750000 0.412877 Cr\n0.500000 0.250000 0.912877 Cr\n0.000000 0.250000 0.587123 Cr\n0.750000 0.893267 0.250000 O\n0.781076 0.917033 0.572186 O\n0.718924 0.917033 0.927814 O\n0.218924 0.082967 0.427814 O\n0.281076 0.082967 0.072186 O\n0.250000 0.106733 0.750000 O\n0.750000 0.393267 0.750000 O\n0.718924 0.417033 0.072186 O\n0.781076 0.417033 0.427814 O\n0.281076 0.582967 0.927814 O\n0.218924 0.582967 0.572186 O\n0.250000 0.606733 0.250000 O\n",
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{
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{
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