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"structure_string": "Au8 I40 N8\n1.0\n7.435439 0.000000 0.000000\n0.000000 13.534160 0.000000\n0.000000 0.000000 21.643870\nAu I N\n8 40 8\ndirect\n0.738218 0.083123 0.250000 Au\n0.761782 0.583123 0.250000 Au\n0.261782 0.916877 0.750000 Au\n0.238218 0.416877 0.750000 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.439485 0.978061 0.250000 I\n0.060515 0.478061 0.250000 I\n0.560515 0.021939 0.750000 I\n0.939485 0.521939 0.750000 I\n0.737878 0.086249 0.128592 I\n0.762122 0.586249 0.371408 I\n0.262122 0.913751 0.628592 I\n0.237878 0.413751 0.871408 I\n0.262122 0.913751 0.871408 I\n0.237878 0.413751 0.628592 I\n0.737878 0.086249 0.371408 I\n0.762122 0.586249 0.128592 I\n0.041217 0.185537 0.250000 I\n0.458783 0.685537 0.250000 I\n0.958783 0.814463 0.750000 I\n0.541217 0.314463 0.750000 I\n0.298265 0.067210 0.055553 I\n0.201735 0.567210 0.444447 I\n0.701735 0.932790 0.555553 I\n0.798265 0.432790 0.944447 I\n0.701735 0.932790 0.944447 I\n0.798265 0.432790 0.555553 I\n0.298265 0.067210 0.444447 I\n0.201735 0.567210 0.055553 I\n0.088323 0.813295 0.034481 I\n0.411677 0.313295 0.465519 I\n0.911677 0.186705 0.534481 I\n0.588323 0.686705 0.965519 I\n0.911677 0.186705 0.965519 I\n0.588323 0.686705 0.534481 I\n0.088323 0.813295 0.465519 I\n0.411677 0.313295 0.034481 I\n0.048495 0.832978 0.185635 I\n0.451505 0.332978 0.314365 I\n0.951505 0.167022 0.685635 I\n0.548495 0.667022 0.814365 I\n0.951505 0.167022 0.814365 I\n0.548495 0.667022 0.685635 I\n0.048495 0.832978 0.314365 I\n0.451505 0.332978 0.185635 I\n0.528480 0.830562 0.111670 N\n0.971520 0.330562 0.388330 N\n0.471520 0.169438 0.611670 N\n0.028480 0.669438 0.888330 N\n0.471520 0.169438 0.888330 N\n0.028480 0.669438 0.611670 N\n0.528480 0.830562 0.388330 N\n0.971520 0.330562 0.111670 N\n",
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],
"chemical_system": "Au-I-N",
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"density_atomic": 0.025710776245890313,
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"formula_full": "Au8 I40 N8",
"formula_reduced": "AuI5N",
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"band_gap": 0.0,
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"total_magnetization": 0.0931706,
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"updated_at": "2021-11-28T01:34:52.387000Z",
"spacegroup": 62
},
{
"id": "mp-19171",
"created_at": "2022-09-04T14:40:18.018938Z",
"structure_string": "Y2 Fe4 O8\n1.0\n-1.812468 3.043336 0.003136\n-3.467379 0.002471 0.734409\n1.680244 3.073853 16.602612\nY Fe O\n2 4 8\ndirect\n0.499970 0.499857 0.499785 Y\n0.999740 0.999518 0.000073 Y\n0.105498 0.105409 0.680258 Fe\n0.394178 0.391785 0.819743 Fe\n0.605397 0.605649 0.180420 Fe\n0.894477 0.894699 0.319554 Fe\n0.064825 0.067761 0.806889 O\n0.562281 0.562221 0.307442 O\n0.437583 0.437770 0.692689 O\n0.937207 0.937683 0.193130 O\n0.145252 0.145162 0.562553 O\n0.645234 0.645149 0.062653 O\n0.353888 0.353093 0.937449 O\n0.854471 0.854244 0.437363 O\n",
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"elements": [
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"O"
],
"chemical_system": "Fe-O-Y",
"density": 4.803497172444153,
"density_atomic": 0.0765292386712602,
"volume": 182.93661668501036,
"volume_molar": 7.869071827394979,
"formula_full": "Y2 Fe4 O8",
"formula_reduced": "Y(FeO2)2",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:34:53.209000Z",
"spacegroup": 166
}
]
}