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{
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{
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{
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"structure_string": "Fe4 Co8 B4 O20\n1.0\n3.072349 0.000000 0.000000\n0.000000 9.417707 0.000000\n0.000000 0.000000 12.415823\nFe Co B O\n4 8 4 20\ndirect\n0.500000 0.740386 0.385233 Fe\n0.500000 0.259614 0.614767 Fe\n0.500000 0.240386 0.114767 Fe\n0.500000 0.759614 0.885233 Fe\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.499246 0.219599 Co\n0.000000 0.500754 0.780401 Co\n0.000000 0.999246 0.280401 Co\n0.000000 0.000754 0.719599 Co\n0.500000 0.728509 0.638626 B\n0.500000 0.271491 0.361374 B\n0.500000 0.228509 0.861374 B\n0.500000 0.771491 0.138626 B\n0.000000 0.608096 0.356579 O\n0.000000 0.391904 0.643421 O\n0.000000 0.108096 0.143421 O\n0.000000 0.891904 0.856579 O\n0.500000 0.875922 0.639655 O\n0.500000 0.124078 0.360345 O\n0.500000 0.375922 0.860345 O\n0.500000 0.624078 0.139655 O\n0.000000 0.381520 0.078385 O\n0.000000 0.618480 0.921615 O\n0.000000 0.881520 0.421615 O\n0.000000 0.118480 0.578385 O\n0.500000 0.655208 0.736196 O\n0.500000 0.344792 0.263804 O\n0.500000 0.155208 0.763804 O\n0.500000 0.844792 0.236196 O\n0.500000 0.652774 0.542123 O\n0.500000 0.347226 0.457877 O\n0.500000 0.152774 0.957877 O\n0.500000 0.847226 0.042123 O\n",
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{
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"structure_string": "Er4 Al4 Fe4\n1.0\n-2.702537 -4.659522 0.000000\n-5.386440 -0.010760 0.000000\n0.000000 0.000000 -8.523462\nEr Al Fe\n4 4 4\ndirect\n0.333670 0.333641 0.565472 Er\n0.663552 0.663461 0.449361 Er\n0.663552 0.663461 0.050639 Er\n0.333670 0.333641 0.934528 Er\n0.836232 0.836212 0.750000 Al\n0.162242 0.674908 0.250000 Al\n0.674897 0.162248 0.250000 Al\n0.163261 0.163263 0.250000 Al\n0.005972 0.006034 0.512165 Fe\n0.005972 0.006034 0.987835 Fe\n0.832458 0.324579 0.750000 Fe\n0.324523 0.832517 0.750000 Fe\n",
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{
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"structure_string": "Mn2 Co2 C1\n1.0\n3.759191 0.000000 0.000000\n0.000000 3.759191 0.000000\n0.000000 0.000000 3.824369\nMn Co C\n2 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 C\n",
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{
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"structure_string": "Pt2 C4 N4 O8\n1.0\n10.613198 0.000000 0.000000\n0.000000 3.792092 0.000000\n0.000000 0.290267 6.580572\nPt C N O\n2 4 4 8\ndirect\n0.250000 0.630793 0.862406 Pt\n0.750000 0.369207 0.137594 Pt\n0.323282 0.897646 0.256458 C\n0.676718 0.102354 0.743542 C\n0.823282 0.102354 0.743542 C\n0.176718 0.897646 0.256458 C\n0.886063 0.470522 0.283353 N\n0.113937 0.529478 0.716647 N\n0.386063 0.529478 0.716647 N\n0.613937 0.470522 0.283353 N\n0.374207 0.786130 0.089196 O\n0.625793 0.213870 0.910804 O\n0.874207 0.213870 0.910804 O\n0.125793 0.786130 0.089196 O\n0.383795 0.005094 0.399740 O\n0.616205 0.994906 0.600260 O\n0.883795 0.994906 0.600260 O\n0.116205 0.005094 0.399740 O\n",
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{
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{
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{
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"energy_uncorrected": -81.47390052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.508000Z",
"spacegroup": 63
}
]
}