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{
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{
"id": "mp-530395",
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"structure_string": "Al16 Fe8 O32\n1.0\n19.138121 -2.912382 0.000000\n19.138121 2.912382 0.000000\n18.694924 0.000000 5.024886\nAl Fe O\n16 8 32\ndirect\n0.377391 0.377391 0.871694 Al\n0.377391 0.871694 0.377391 Al\n0.250023 0.250023 0.250023 Al\n0.124694 0.124694 0.625481 Al\n0.871694 0.377391 0.377391 Al\n0.124694 0.625481 0.124694 Al\n0.999955 0.999955 0.999955 Al\n0.875012 0.875012 0.374793 Al\n0.625481 0.124694 0.124694 Al\n0.875012 0.374793 0.875012 Al\n0.120332 0.626712 0.626712 Al\n0.749470 0.749470 0.749470 Al\n0.626712 0.626712 0.120331 Al\n0.374793 0.875012 0.875012 Al\n0.626712 0.120332 0.626712 Al\n0.155438 0.155438 0.155438 Al\n0.844309 0.844309 0.844309 Fe\n0.500425 0.500425 0.500425 Fe\n0.594238 0.594238 0.594238 Fe\n0.343678 0.343678 0.343678 Fe\n0.093532 0.093532 0.093532 Fe\n0.905519 0.905519 0.905519 Fe\n0.656312 0.656312 0.656312 Fe\n0.406672 0.406672 0.406672 Fe\n0.679308 0.215686 0.679308 O\n0.679308 0.679308 0.215686 O\n0.559597 0.559597 0.559597 O\n0.215686 0.679308 0.679308 O\n0.418126 0.980325 0.418126 O\n0.513961 0.084695 0.084695 O\n0.187737 0.187737 0.187737 O\n0.308598 0.308598 0.308598 O\n0.418126 0.418126 0.980325 O\n0.084695 0.084695 0.513961 O\n0.084695 0.513961 0.084695 O\n0.980325 0.418126 0.418126 O\n0.168002 0.730009 0.168002 O\n0.269721 0.831831 0.831831 O\n0.941116 0.941116 0.941116 O\n0.168002 0.168002 0.730009 O\n0.058433 0.058433 0.058433 O\n0.831831 0.831831 0.269721 O\n0.730009 0.168002 0.168002 O\n0.831831 0.269721 0.831831 O\n0.916347 0.482340 0.916347 O\n0.020107 0.581539 0.581539 O\n0.691343 0.691343 0.691343 O\n0.916347 0.916347 0.482340 O\n0.808801 0.808801 0.808801 O\n0.581539 0.581539 0.020107 O\n0.482340 0.916347 0.916347 O\n0.581539 0.020107 0.581539 O\n0.808849 0.310658 0.310658 O\n0.442876 0.442876 0.442876 O\n0.310658 0.310658 0.808849 O\n0.310658 0.808849 0.310658 O\n",
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"formula_full": "Al16 Fe8 O32",
"formula_reduced": "Al2FeO4",
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"updated_at": "2021-11-28T01:36:04.575000Z",
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},
{
"id": "mp-34782",
"created_at": "2022-09-04T14:46:31.638253Z",
"structure_string": "Al12 Fe6 O24\n1.0\n5.816773 -0.005330 0.007172\n2.903736 5.045548 0.008326\n8.737968 5.054317 14.331347\nAl Fe O\n12 6 24\ndirect\n0.497727 0.496693 0.167883 Al\n0.499142 0.499105 0.333465 Al\n0.497025 0.002401 0.169119 Al\n0.003127 0.495486 0.169511 Al\n0.497572 0.501298 0.499387 Al\n0.501561 0.501460 0.664556 Al\n0.498152 0.002057 0.499113 Al\n0.500416 0.497953 0.831937 Al\n0.999622 0.502207 0.498509 Al\n0.501692 0.005105 0.831462 Al\n0.007159 0.499007 0.831693 Al\n0.878636 0.877320 0.955373 Al\n0.128105 0.127331 0.042653 Fe\n0.121013 0.123305 0.377281 Fe\n0.127091 0.125249 0.707275 Fe\n0.879337 0.879126 0.287515 Fe\n0.871218 0.872389 0.626511 Fe\n0.498324 0.497229 0.002540 Fe\n0.243478 0.243738 0.101868 O\n0.263749 0.261258 0.238600 O\n0.247560 0.708392 0.098263 O\n0.710191 0.245794 0.099055 O\n0.303756 0.731849 0.244412 O\n0.262845 0.265916 0.422786 O\n0.732155 0.303355 0.244743 O\n0.261075 0.267150 0.567813 O\n0.265442 0.702346 0.421540 O\n0.749164 0.749085 0.083997 O\n0.699723 0.266249 0.422911 O\n0.732160 0.731033 0.245202 O\n0.292939 0.734120 0.578558 O\n0.269476 0.266930 0.753575 O\n0.732574 0.295635 0.578107 O\n0.732622 0.735596 0.431331 O\n0.266712 0.263332 0.901003 O\n0.271261 0.702185 0.753201 O\n0.703983 0.270404 0.752359 O\n0.735812 0.737775 0.576699 O\n0.263086 0.759528 0.906237 O\n0.759133 0.262470 0.906932 O\n0.731916 0.729376 0.770049 O\n0.762268 0.761762 0.904978 O\n",
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"formula_full": "Al12 Fe6 O24",
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"updated_at": "2021-11-28T01:37:34.167000Z",
"spacegroup": 8
},
{
"id": "mp-530513",
"created_at": "2022-09-04T14:44:18.763792Z",
"structure_string": "Al16 Fe8 O32\n1.0\n5.033376 0.000000 2.906021\n1.677791 4.745512 2.906021\n-0.071061 -0.050248 23.371247\nAl Fe O\n16 8 32\ndirect\n0.006742 0.496178 0.125225 Al\n0.496178 0.496178 0.125225 Al\n0.001619 0.495960 0.376615 Al\n0.496178 0.006742 0.125225 Al\n0.495960 0.495960 0.376615 Al\n0.000356 0.501030 0.624396 Al\n0.880790 0.880790 0.214407 Al\n0.500312 0.500312 0.499766 Al\n0.495960 0.001619 0.376615 Al\n0.501030 0.501030 0.624396 Al\n0.008011 0.499059 0.873468 Al\n0.502878 0.502878 0.747842 Al\n0.501030 0.000356 0.624396 Al\n0.499059 0.499059 0.873468 Al\n0.499059 0.008011 0.873468 Al\n0.877638 0.877638 0.966771 Al\n0.124259 0.124259 0.031806 Fe\n0.120651 0.120651 0.284512 Fe\n0.499369 0.499369 0.000473 Fe\n0.496682 0.496682 0.252489 Fe\n0.123233 0.123233 0.532575 Fe\n0.127469 0.127469 0.779398 Fe\n0.877773 0.877773 0.466670 Fe\n0.872289 0.872289 0.720783 Fe\n0.250536 0.250536 0.072939 O\n0.260465 0.260465 0.179651 O\n0.250536 0.707173 0.072939 O\n0.707173 0.250536 0.072939 O\n0.245537 0.245537 0.324929 O\n0.269268 0.754647 0.180360 O\n0.754647 0.269268 0.180360 O\n0.261341 0.261341 0.428994 O\n0.744586 0.744586 0.066561 O\n0.245537 0.709209 0.324929 O\n0.754647 0.754647 0.180360 O\n0.709209 0.245537 0.324929 O\n0.266214 0.266214 0.565862 O\n0.303412 0.732498 0.432898 O\n0.751282 0.751282 0.311539 O\n0.732498 0.303412 0.432898 O\n0.267127 0.267127 0.674654 O\n0.266214 0.704126 0.565862 O\n0.732498 0.732498 0.432898 O\n0.704126 0.266214 0.565862 O\n0.268873 0.268873 0.814613 O\n0.297058 0.735984 0.682744 O\n0.735973 0.735973 0.573020 O\n0.266394 0.266394 0.925204 O\n0.735984 0.297058 0.682744 O\n0.268873 0.703802 0.814613 O\n0.735984 0.735984 0.682744 O\n0.703802 0.268873 0.814613 O\n0.259837 0.759221 0.930430 O\n0.727400 0.727400 0.829450 O\n0.759221 0.259837 0.930430 O\n0.759221 0.759221 0.930430 O\n",
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"density": 4.125120447213567,
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"formula_full": "Al16 Fe8 O32",
"formula_reduced": "Al2FeO4",
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"energy": -439.55605348,
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"updated_at": "2021-11-28T01:36:36.221000Z",
"spacegroup": 160
},
{
"id": "mp-530567",
"created_at": "2022-09-04T14:46:10.208545Z",
"structure_string": "Al24 Fe12 O48\n1.0\n5.047901 0.006298 2.911874\n1.684511 4.764792 2.918900\n-0.051593 0.017591 35.043779\nAl Fe O\n24 12 48\ndirect\n0.495098 0.496704 0.083434 Al\n0.495820 0.009175 0.083329 Al\n0.007765 0.498072 0.083087 Al\n0.497580 0.493881 0.251034 Al\n0.500225 0.499939 0.333238 Al\n0.498644 0.002335 0.250775 Al\n0.881610 0.881765 0.142843 Al\n0.004527 0.494969 0.251032 Al\n0.500886 0.502733 0.416160 Al\n0.500660 0.500046 0.499689 Al\n0.501077 0.001544 0.416346 Al\n0.000763 0.502661 0.416245 Al\n0.498163 0.499733 0.583322 Al\n0.500666 0.500580 0.666439 Al\n0.499351 0.999907 0.582929 Al\n0.999926 0.499775 0.582967 Al\n0.500118 0.497943 0.750054 Al\n0.005571 0.498835 0.915969 Al\n0.501426 0.501153 0.832497 Al\n0.501258 0.999187 0.749787 Al\n0.001740 0.497792 0.750152 Al\n0.497481 0.499717 0.916046 Al\n0.496237 0.006840 0.916256 Al\n0.876984 0.877722 0.978027 Al\n0.122012 0.123261 0.022338 Fe\n0.121772 0.120499 0.189336 Fe\n0.496019 0.497630 0.168236 Fe\n0.122535 0.123465 0.355425 Fe\n0.124766 0.124891 0.520547 Fe\n0.880468 0.879551 0.309900 Fe\n0.125637 0.125637 0.687290 Fe\n0.123536 0.123778 0.854614 Fe\n0.875770 0.876327 0.478483 Fe\n0.874053 0.876926 0.645620 Fe\n0.873341 0.873850 0.813212 Fe\n0.501921 0.501816 0.999579 Fe\n0.255781 0.257310 0.046785 O\n0.259678 0.263441 0.118823 O\n0.250962 0.709816 0.048072 O\n0.708283 0.251607 0.048369 O\n0.248657 0.245263 0.216605 O\n0.270328 0.759031 0.119135 O\n0.746612 0.747040 0.043594 O\n0.756589 0.271329 0.119453 O\n0.263136 0.257756 0.286386 O\n0.248318 0.706074 0.216967 O\n0.707925 0.246470 0.216713 O\n0.754698 0.756656 0.119867 O\n0.305040 0.732071 0.288703 O\n0.264099 0.266460 0.378249 O\n0.753495 0.751961 0.207546 O\n0.733693 0.303531 0.288851 O\n0.266244 0.267751 0.450760 O\n0.265890 0.702478 0.377647 O\n0.701262 0.266144 0.378162 O\n0.732727 0.730139 0.289161 O\n0.265552 0.266215 0.544024 O\n0.297738 0.736266 0.455588 O\n0.735345 0.736724 0.382032 O\n0.735884 0.298325 0.455582 O\n0.265355 0.262420 0.617298 O\n0.263393 0.701813 0.544644 O\n0.733466 0.733661 0.455972 O\n0.702004 0.263680 0.544622 O\n0.265131 0.264693 0.711226 O\n0.295638 0.733240 0.622829 O\n0.731973 0.733790 0.549398 O\n0.732742 0.297506 0.622403 O\n0.266473 0.262228 0.784175 O\n0.266085 0.701878 0.711005 O\n0.703121 0.264487 0.711235 O\n0.733479 0.734119 0.622372 O\n0.266704 0.269569 0.876819 O\n0.296692 0.732894 0.788893 O\n0.736407 0.730018 0.716383 O\n0.734037 0.294126 0.789625 O\n0.268264 0.702449 0.876317 O\n0.264264 0.266309 0.950738 O\n0.700973 0.268744 0.876884 O\n0.736444 0.732323 0.789084 O\n0.258558 0.760840 0.952742 O\n0.727086 0.730547 0.885682 O\n0.760311 0.259638 0.952678 O\n0.758058 0.758538 0.953667 O\n",
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"formula_full": "Al24 Fe12 O48",
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},
{
"id": "mp-1398131",
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"structure_string": "Al2 Fe2 O6\n1.0\n1.593800 -2.760542 0.000000\n1.593800 2.760542 0.000000\n0.000000 0.000000 11.964116\nAl Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 Fe\n0.333333 0.666667 0.250000 Fe\n0.333333 0.666667 0.424263 O\n0.666667 0.333333 0.924263 O\n0.666667 0.333333 0.575737 O\n0.333333 0.666667 0.075737 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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"formula_full": "Al2 Fe2 O6",
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{
"id": "mp-1214939",
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"structure_string": "Al4 Fe6 O18\n1.0\n4.784063 2.699238 0.000000\n-4.784063 2.699238 0.000000\n0.000000 0.587729 15.066403\nAl Fe O\n4 6 18\ndirect\n0.666683 0.994356 0.191627 Al\n0.333317 0.005644 0.808373 Al\n0.005644 0.333317 0.808373 Al\n0.994356 0.666683 0.191627 Al\n0.661050 0.338950 0.000000 Fe\n0.338950 0.661050 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.666663 0.333337 0.500000 Fe\n0.333337 0.666663 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.673290 0.673290 0.559080 O\n0.326710 0.326710 0.440920 O\n0.660122 0.993361 0.441042 O\n0.339878 0.006639 0.558958 O\n0.006639 0.339878 0.558958 O\n0.993361 0.660122 0.441042 O\n0.829670 0.829670 0.233969 O\n0.170330 0.170330 0.766031 O\n0.326363 0.824687 0.232508 O\n0.673637 0.175313 0.767492 O\n0.175313 0.673637 0.767492 O\n0.824687 0.326363 0.232508 O\n0.662199 0.997849 0.068976 O\n0.337801 0.002151 0.931024 O\n0.002151 0.337801 0.931024 O\n0.997849 0.662199 0.068976 O\n0.312903 0.312903 0.060103 O\n0.687097 0.687097 0.939897 O\n",
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},
{
"id": "mp-505623",
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"structure_string": "Al2 Fe4 O8\n1.0\n0.000000 4.186911 4.186911\n4.186911 0.000000 4.186911\n4.186911 4.186911 0.000000\nAl Fe O\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.625000 0.625000 Fe\n0.875513 0.373461 0.875513 O\n0.374487 0.374487 0.876539 O\n0.876539 0.374487 0.374487 O\n0.374487 0.374487 0.374487 O\n0.373461 0.875513 0.875513 O\n0.875513 0.875513 0.875513 O\n0.875513 0.875513 0.373461 O\n0.374487 0.876539 0.374487 O\n",
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"formula_full": "Al2 Fe4 O8",
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