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{
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{
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{
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"structure_string": "Ru8 O32\n1.0\n9.088628 0.000000 0.000000\n0.000000 9.088628 0.000000\n0.000000 0.000000 9.088628\nRu O\n8 32\ndirect\n0.750000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.250000 Ru\n0.000000 0.250000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.250000 0.500000 0.000000 Ru\n0.500000 0.000000 0.750000 Ru\n0.000000 0.750000 0.500000 Ru\n0.610515 0.892646 0.641247 O\n0.107354 0.358753 0.610515 O\n0.392646 0.889485 0.858753 O\n0.608899 0.391101 0.608899 O\n0.891101 0.108899 0.108899 O\n0.610515 0.107354 0.358753 O\n0.607354 0.110515 0.858753 O\n0.110515 0.858753 0.607354 O\n0.108899 0.108899 0.891101 O\n0.141247 0.607354 0.889485 O\n0.892646 0.358753 0.389485 O\n0.141247 0.392646 0.110515 O\n0.108899 0.891101 0.108899 O\n0.358753 0.610515 0.107354 O\n0.389485 0.892646 0.358753 O\n0.107354 0.641247 0.389485 O\n0.391101 0.608899 0.608899 O\n0.889485 0.858753 0.392646 O\n0.641247 0.610515 0.892646 O\n0.358753 0.389485 0.892646 O\n0.858753 0.392646 0.889485 O\n0.607354 0.889485 0.141247 O\n0.391101 0.391101 0.391101 O\n0.608899 0.608899 0.391101 O\n0.641247 0.389485 0.107354 O\n0.889485 0.141247 0.607354 O\n0.110515 0.141247 0.392646 O\n0.389485 0.107354 0.641247 O\n0.858753 0.607354 0.110515 O\n0.892646 0.641247 0.610515 O\n0.392646 0.110515 0.141247 O\n0.891101 0.891101 0.891101 O\n",
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{
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"structure_string": "K3 Tl1 Br6\n1.0\n0.000000 5.892055 5.892055\n5.892055 0.000000 5.892055\n5.892055 5.892055 0.000000\nK Tl Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n0.764635 0.235365 0.235365 Br\n0.235365 0.235365 0.764635 Br\n0.235365 0.764635 0.764635 Br\n0.235365 0.764635 0.235365 Br\n0.764635 0.235365 0.764635 Br\n0.764635 0.764635 0.235365 Br\n",
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{
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"structure_string": "La8 Mg4 S16\n1.0\n7.738194 -0.059246 0.733768\n-0.125232 8.950727 1.406228\n0.338643 0.463112 11.964285\nLa Mg S\n8 4 16\ndirect\n0.133686 0.703661 0.659909 La\n0.866314 0.296339 0.340091 La\n0.247581 0.866000 0.999331 La\n0.752419 0.134000 0.000669 La\n0.367130 0.550761 0.337346 La\n0.632870 0.449239 0.662654 La\n0.358434 0.030847 0.342563 La\n0.641566 0.969153 0.657437 La\n0.142216 0.205506 0.685865 Mg\n0.857784 0.794494 0.314135 Mg\n0.247201 0.376456 0.989739 Mg\n0.752799 0.623544 0.010261 Mg\n0.094813 0.639231 0.892024 S\n0.905187 0.360769 0.107976 S\n0.118242 0.166640 0.892260 S\n0.881758 0.833360 0.107740 S\n0.146963 0.775960 0.385462 S\n0.853037 0.224040 0.614538 S\n0.198466 0.278944 0.385984 S\n0.801534 0.721056 0.614016 S\n0.296501 0.989130 0.618157 S\n0.703499 0.010870 0.381843 S\n0.299121 0.451370 0.603731 S\n0.700879 0.548630 0.396269 S\n0.389325 0.099666 0.110036 S\n0.610675 0.900334 0.889964 S\n0.408393 0.588499 0.105267 S\n0.591607 0.411501 0.894733 S\n",
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{
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{
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{
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"structure_string": "Si32 O64\n1.0\n-4.197631 7.414220 13.921562\n4.197631 -7.414220 13.921562\n4.197631 7.414220 -13.921562\nSi O\n32 64\ndirect\n0.319415 0.909922 0.781276 Si\n0.871354 0.590078 0.909493 Si\n0.128646 0.038139 0.718724 Si\n0.680585 0.461861 0.590507 Si\n0.680585 0.090078 0.218724 Si\n0.128646 0.409922 0.090507 Si\n0.871354 0.961861 0.281276 Si\n0.319415 0.538139 0.409493 Si\n0.428917 0.514924 0.287234 Si\n0.772310 0.985076 0.413993 Si\n0.227690 0.641683 0.212766 Si\n0.571083 0.858317 0.086007 Si\n0.571083 0.485076 0.712766 Si\n0.227690 0.014924 0.586007 Si\n0.772310 0.358317 0.787234 Si\n0.428917 0.141683 0.913993 Si\n0.641024 0.042740 0.967916 Si\n0.925176 0.457260 0.098284 Si\n0.074824 0.173108 0.532084 Si\n0.358976 0.326892 0.401716 Si\n0.358976 0.957260 0.032084 Si\n0.074824 0.542740 0.901716 Si\n0.925176 0.826892 0.467916 Si\n0.641024 0.673108 0.598284 Si\n0.045810 0.137827 0.292895 Si\n0.155069 0.362173 0.407983 Si\n0.844931 0.252914 0.207105 Si\n0.954190 0.247086 0.092017 Si\n0.954190 0.862173 0.707105 Si\n0.844931 0.637827 0.592017 Si\n0.155069 0.747086 0.792895 Si\n0.045810 0.752914 0.907983 Si\n0.201941 0.951941 0.750000 O\n0.798059 0.548059 0.750000 O\n0.798059 0.048059 0.250000 O\n0.201941 0.451941 0.250000 O\n0.356176 0.883692 0.873218 O\n0.989526 0.616308 0.972483 O\n0.010474 0.982958 0.626782 O\n0.643824 0.517042 0.527517 O\n0.643824 0.116308 0.126782 O\n0.010474 0.383692 0.027517 O\n0.989526 0.017042 0.373218 O\n0.356176 0.482958 0.472483 O\n0.392440 0.062697 0.913410 O\n0.850713 0.437303 0.829743 O\n0.149287 0.979030 0.586590 O\n0.607560 0.520970 0.670257 O\n0.607560 0.937303 0.086590 O\n0.149287 0.562697 0.170257 O\n0.850713 0.020970 0.413410 O\n0.392440 0.479030 0.329743 O\n0.325083 0.740209 0.584875 O\n0.844666 0.759792 0.084875 O\n0.155334 0.240209 0.915125 O\n0.674917 0.259792 0.415125 O\n0.533433 0.646715 0.462238 O\n0.815523 0.853285 0.386718 O\n0.184477 0.571194 0.037762 O\n0.466567 0.928806 0.113282 O\n0.466567 0.353285 0.537762 O\n0.184477 0.146715 0.613282 O\n0.815523 0.428806 0.962238 O\n0.533433 0.071194 0.886718 O\n0.341084 0.591084 0.250000 O\n0.658916 0.908916 0.250000 O\n0.658916 0.408916 0.750000 O\n0.341084 0.091084 0.750000 O\n0.451664 0.342615 0.109049 O\n0.766434 0.157385 0.609049 O\n0.233566 0.842615 0.390951 O\n0.548336 0.657385 0.890951 O\n0.649692 0.844606 0.805086 O\n0.960480 0.655394 0.305086 O\n0.039520 0.344606 0.694914 O\n0.350308 0.155394 0.194914 O\n0.735182 0.138063 0.052948 O\n0.914885 0.361937 0.097120 O\n0.085115 0.182234 0.447052 O\n0.264818 0.317766 0.402880 O\n0.264818 0.861937 0.947052 O\n0.085115 0.638063 0.902880 O\n0.914885 0.817766 0.552948 O\n0.735182 0.682234 0.597120 O\n0.928997 0.178997 0.250000 O\n0.071003 0.321003 0.250000 O\n0.071003 0.821003 0.750000 O\n0.928997 0.678997 0.750000 O\n0.048959 0.941804 0.107156 O\n0.165352 0.558196 0.607156 O\n0.834648 0.441804 0.392844 O\n0.951041 0.058197 0.892844 O\n0.121049 0.250000 0.371049 O\n0.878951 0.250000 0.128951 O\n0.878951 0.750000 0.628951 O\n0.121049 0.750000 0.871049 O\n",
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{
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},
{
"id": "mp-1074218",
"created_at": "2022-09-04T14:43:14.357839Z",
"structure_string": "Mg8 Si14\n1.0\n3.956138 0.000000 0.000000\n-0.036973 6.885069 0.000000\n-1.636801 -0.886336 14.351612\nMg Si\n8 14\ndirect\n0.905706 0.980393 0.945397 Mg\n0.696672 0.643837 0.503090 Mg\n0.110867 0.792757 0.341007 Mg\n0.263109 0.481801 0.653156 Mg\n0.826195 0.496520 0.827106 Mg\n0.039525 0.393745 0.188015 Mg\n0.156386 0.305644 0.415590 Mg\n0.227002 0.968665 0.577967 Mg\n0.388960 0.663615 0.956184 Si\n0.480525 0.178751 0.069316 Si\n0.043055 0.372243 0.993128 Si\n0.920591 0.692922 0.073417 Si\n0.719929 0.267929 0.554208 Si\n0.659906 0.006409 0.434821 Si\n0.524125 0.711283 0.194642 Si\n0.321170 0.185086 0.810427 Si\n0.790828 0.780741 0.695610 Si\n0.099720 0.002283 0.164540 Si\n0.607442 0.491126 0.318487 Si\n0.328655 0.814214 0.806027 Si\n0.785299 0.143218 0.706436 Si\n0.611681 0.123160 0.275028 Si\n",
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"formula_full": "Mg8 Si14",
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"spacegroup": 1
},
{
"id": "mp-1080320",
"created_at": "2022-09-04T14:43:14.495259Z",
"structure_string": "Ce6 Se12\n1.0\n6.099229 -7.073041 0.000000\n6.099229 7.073041 0.000000\n-2.103106 0.000000 9.099750\nCe Se\n6 12\ndirect\n0.881476 0.243217 0.592720 Ce\n0.243217 0.592720 0.881476 Ce\n0.592720 0.881476 0.243217 Ce\n0.118524 0.756783 0.407280 Ce\n0.756783 0.407280 0.118524 Ce\n0.407280 0.118524 0.756783 Ce\n0.000000 0.500000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n0.500000 0.000000 0.500000 Se\n0.707238 0.255303 0.816575 Se\n0.255303 0.816575 0.707238 Se\n0.816575 0.707238 0.255303 Se\n0.292762 0.744697 0.183425 Se\n0.744697 0.183425 0.292762 Se\n0.183425 0.292762 0.744697 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.000000 0.000000 Se\n",
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"formula_full": "Ce6 Se12",
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}
]
}