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{
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{
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"structure_string": "Th6 Fe1 Br15\n1.0\n-5.814514 5.814514 5.814514\n5.814514 -5.814514 5.814514\n5.814514 5.814514 -5.814514\nTh Fe Br\n6 1 15\ndirect\n0.238101 0.000000 0.238101 Th\n0.238101 0.238101 0.000000 Th\n0.761899 0.000000 0.761899 Th\n0.000000 0.238101 0.238101 Th\n0.000000 0.761899 0.761899 Th\n0.761899 0.761899 0.000000 Th\n0.000000 0.000000 0.000000 Fe\n0.000000 0.747605 0.252395 Br\n0.252395 0.747605 0.000000 Br\n0.495210 0.747605 0.747605 Br\n0.000000 0.252395 0.747605 Br\n0.747605 0.000000 0.252395 Br\n0.252395 0.504790 0.252395 Br\n0.747605 0.252395 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.252395 0.252395 0.504790 Br\n0.747605 0.495210 0.747605 Br\n0.747605 0.747605 0.495210 Br\n0.504790 0.252395 0.252395 Br\n0.252395 0.000000 0.747605 Br\n0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n",
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"spacegroup": 229
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{
"id": "mp-1033873",
"created_at": "2022-09-04T14:40:24.971103Z",
"structure_string": "Ba1 Mg14 C1 O16\n1.0\n8.754181 0.000000 0.000000\n0.000000 8.639559 0.000000\n0.000000 0.000000 4.493575\nBa Mg C O\n1 14 1 16\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.266349 0.500000 Mg\n-0.000000 0.733651 0.500000 Mg\n0.500000 0.252693 0.500000 Mg\n0.500000 0.747307 0.500000 Mg\n0.263690 0.000000 0.500000 Mg\n0.247773 0.500000 0.500000 Mg\n0.736310 0.000000 0.500000 Mg\n0.752227 0.500000 0.500000 Mg\n0.257053 0.260105 0.000000 Mg\n0.257053 0.739895 0.000000 Mg\n0.742947 0.260105 -0.000000 Mg\n0.742947 0.739895 0.000000 Mg\n-0.000000 0.500000 0.000000 C\n0.280171 0.000000 0.000000 O\n0.259500 0.500000 0.000000 O\n0.719829 0.000000 -0.000000 O\n0.740500 0.500000 -0.000000 O\n0.248332 0.250236 0.500000 O\n0.248332 0.749764 0.500000 O\n0.751668 0.250236 0.500000 O\n0.751668 0.749764 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.283487 -0.000000 O\n-0.000000 0.716513 0.000000 O\n0.500000 0.256807 0.000000 O\n0.500000 0.743193 0.000000 O\n",
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"volume": 339.85924731644883,
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"formula_full": "Ba1 Mg14 C1 O16",
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{
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"structure_string": "Hf1 Ni1 Sn1\n1.0\n0.000000 3.209218 3.209218\n3.209218 0.000000 3.209218\n3.209218 3.209218 0.000000\nHf Ni Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "mp-1093883",
"created_at": "2022-09-04T14:40:25.146968Z",
"structure_string": "Mn2 Ga1 Mo1\n1.0\n-5.165594 5.290259 7.355933\n5.165594 -5.290259 7.355933\n5.165594 5.290259 -7.355933\nMn Ga Mo\n2 1 1\ndirect\n0.229129 0.000000 0.229129 Mn\n0.770871 0.000000 0.770871 Mn\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Mo\n",
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"volume": 804.0720385751647,
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"formula_full": "Mn2 Ga1 Mo1",
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{
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"structure_string": "La4 Co2 Ir2 O12\n1.0\n5.664103 0.000000 0.000000\n0.000000 5.514521 0.000000\n0.000000 5.532339 7.849893\nLa Co Ir O\n4 2 2 12\ndirect\n0.943225 0.238097 0.749365 La\n0.556775 0.238097 0.249365 La\n0.056775 0.761903 0.250635 La\n0.443225 0.761903 0.750635 La\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.802528 0.159282 0.046486 O\n0.697472 0.159282 0.546486 O\n0.197472 0.840718 0.953514 O\n0.518830 0.347027 0.742795 O\n0.790747 0.740817 0.452949 O\n0.209253 0.259183 0.547051 O\n0.981170 0.347027 0.242795 O\n0.481170 0.652973 0.257205 O\n0.302528 0.840718 0.453514 O\n0.018830 0.652973 0.757205 O\n0.709253 0.740817 0.952949 O\n0.290747 0.259183 0.047051 O\n",
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"formula_full": "La4 Co2 Ir2 O12",
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{
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"structure_string": "K8 Pd4 N16 O32\n1.0\n12.938218 0.000000 0.000000\n0.000000 7.916329 0.000000\n0.000000 1.256534 9.633378\nK Pd N O\n8 4 16 32\ndirect\n0.816957 0.350323 0.658408 K\n0.316957 0.149677 0.341592 K\n0.183043 0.649677 0.341592 K\n0.683043 0.850323 0.658408 K\n0.656926 0.084326 0.189081 K\n0.156926 0.415674 0.810919 K\n0.343074 0.915674 0.810919 K\n0.843074 0.584326 0.189081 K\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.521446 0.245569 0.580627 N\n0.636758 0.487629 0.394657 N\n0.136758 0.012371 0.605343 N\n0.363242 0.512371 0.605343 N\n0.863242 0.987629 0.394657 N\n0.021446 0.254431 0.419373 N\n0.478554 0.754431 0.419373 N\n0.978554 0.745569 0.580627 N\n0.933274 0.235315 0.007376 N\n0.433274 0.264685 0.992624 N\n0.066726 0.764685 0.992624 N\n0.566726 0.735315 0.007376 N\n0.372808 0.569133 0.108014 N\n0.872808 0.930867 0.891986 N\n0.627192 0.430867 0.891986 N\n0.127192 0.069133 0.108014 N\n0.892036 0.697220 0.627718 O\n0.392036 0.802780 0.372282 O\n0.107964 0.302780 0.372282 O\n0.607964 0.197220 0.627718 O\n0.786468 0.066750 0.432649 O\n0.286468 0.433250 0.567351 O\n0.213532 0.933250 0.567351 O\n0.644813 0.400565 0.296787 O\n0.713532 0.566750 0.432649 O\n0.855187 0.900565 0.296787 O\n0.355187 0.599435 0.703213 O\n0.144813 0.099435 0.703213 O\n0.323797 0.701845 0.066282 O\n0.823797 0.798155 0.933718 O\n0.676203 0.298155 0.933718 O\n0.176203 0.201845 0.066282 O\n0.344687 0.477116 0.216295 O\n0.844687 0.022884 0.783705 O\n0.655313 0.522884 0.783705 O\n0.155313 0.977116 0.216295 O\n0.549920 0.852405 0.910347 O\n0.049920 0.647595 0.089653 O\n0.450080 0.147595 0.089653 O\n0.950080 0.352405 0.910347 O\n0.623458 0.760117 0.106771 O\n0.123458 0.739883 0.893229 O\n0.376542 0.239883 0.893229 O\n0.876542 0.260117 0.106771 O\n0.051388 0.641570 0.580625 O\n0.551388 0.858430 0.419375 O\n0.948612 0.358430 0.419375 O\n0.448612 0.141570 0.580625 O\n",
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{
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"structure_string": "Rb1 Bi1 O3\n1.0\n4.335218 0.000000 0.000000\n0.000000 4.335218 0.000000\n0.000000 0.000000 4.335218\nRb Bi O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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