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{
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{
"id": "mp-33325",
"created_at": "2022-09-04T14:41:14.410984Z",
"structure_string": "Mg8 Fe16 O32\n1.0\n3.020107 5.228423 0.000000\n-3.020107 5.228423 0.000000\n0.000000 3.522219 19.701581\nMg Fe O\n8 16 32\ndirect\n0.846350 0.846350 0.969504 Mg\n0.376156 0.376156 0.875080 Mg\n0.596691 0.596691 0.718399 Mg\n0.125630 0.125630 0.624596 Mg\n0.874979 0.874979 0.375175 Mg\n0.999865 0.999865 0.500350 Mg\n0.625330 0.625330 0.125663 Mg\n0.749778 0.749778 0.250478 Mg\n0.377812 0.866492 0.875244 Fe\n0.250269 0.250269 0.746998 Fe\n0.866492 0.377812 0.875244 Fe\n0.347783 0.347783 0.467209 Fe\n0.125539 0.621814 0.624971 Fe\n0.902477 0.902477 0.780781 Fe\n0.097522 0.097522 0.218411 Fe\n0.621814 0.125539 0.624971 Fe\n0.874846 0.374847 0.375300 Fe\n0.651997 0.651997 0.532791 Fe\n0.374847 0.874846 0.375300 Fe\n0.120023 0.627000 0.125603 Fe\n0.627000 0.120023 0.125603 Fe\n0.402246 0.402246 0.282529 Fe\n0.499979 0.499979 0.997217 Fe\n0.152642 0.152642 0.030449 Fe\n0.679964 0.215372 0.936173 O\n0.564151 0.564151 0.819745 O\n0.215372 0.679964 0.936173 O\n0.676667 0.676667 0.935381 O\n0.070454 0.070454 0.814417 O\n0.429524 0.967705 0.685611 O\n0.543145 0.068482 0.813953 O\n0.313793 0.313793 0.566049 O\n0.967705 0.429524 0.685611 O\n0.187100 0.187100 0.932685 O\n0.425730 0.425730 0.684886 O\n0.068482 0.543145 0.813953 O\n0.185132 0.704909 0.434907 O\n0.818788 0.818788 0.565739 O\n0.296684 0.814328 0.565237 O\n0.063258 0.063258 0.317625 O\n0.704909 0.185132 0.434907 O\n0.937129 0.937129 0.682909 O\n0.180236 0.180236 0.434384 O\n0.814328 0.296684 0.565237 O\n0.569566 0.569566 0.315199 O\n0.935704 0.452424 0.185255 O\n0.046160 0.564722 0.314662 O\n0.813538 0.813538 0.071462 O\n0.452424 0.935704 0.185255 O\n0.686708 0.686708 0.432295 O\n0.931446 0.931446 0.184789 O\n0.564722 0.046160 0.314662 O\n0.321185 0.321185 0.063974 O\n0.792543 0.318820 0.063492 O\n0.436564 0.436564 0.182017 O\n0.318820 0.792543 0.063492 O\n",
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"updated_at": "2021-11-28T01:35:16.889000Z",
"spacegroup": 8
},
{
"id": "mp-1190715",
"created_at": "2022-09-04T14:43:00.151631Z",
"structure_string": "Er6 Fe2 B14\n1.0\n1.699028 -7.781343 0.000000\n1.699028 7.781343 0.000000\n0.000000 0.000000 9.244311\nEr Fe B\n6 2 14\ndirect\n0.895053 0.104947 0.440207 Er\n0.104947 0.895053 0.559793 Er\n0.895053 0.104947 0.059793 Er\n0.104947 0.895053 0.940207 Er\n0.243554 0.756446 0.250000 Er\n0.756446 0.243554 0.750000 Er\n0.053746 0.946254 0.250000 Fe\n0.946254 0.053746 0.750000 Fe\n0.727470 0.272530 0.466783 B\n0.272530 0.727470 0.533217 B\n0.727470 0.272530 0.033217 B\n0.272530 0.727470 0.966783 B\n0.630062 0.369938 0.153016 B\n0.369938 0.630062 0.846984 B\n0.630062 0.369938 0.346984 B\n0.369938 0.630062 0.653016 B\n0.521088 0.478912 0.098390 B\n0.478912 0.521088 0.901610 B\n0.521088 0.478912 0.401610 B\n0.478912 0.521088 0.598390 B\n0.458131 0.541869 0.250000 B\n0.541869 0.458131 0.750000 B\n",
"nsites": 22,
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],
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"density": 8.604551862126028,
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"volume": 244.43288789217144,
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"formula_full": "Er6 Fe2 B14",
"formula_reduced": "Er3FeB7",
"formula_anonymous": "AB3C7",
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},
{
"id": "mp-1235007",
"created_at": "2022-09-04T14:46:17.447439Z",
"structure_string": "Mg1 Fe8 O14 F2\n1.0\n4.572370 -0.004546 0.227610\n-0.015894 4.528075 0.111495\n0.588966 0.402141 13.455421\nMg Fe O F\n1 8 14 2\ndirect\n0.219544 0.746067 0.754947 Mg\n0.096010 0.004996 0.028004 Fe\n0.019470 0.981194 0.253828 Fe\n0.983436 0.953141 0.486698 Fe\n0.795915 0.171308 0.735251 Fe\n0.549315 0.490806 0.137156 Fe\n0.382629 0.400728 0.587426 Fe\n0.584311 0.608409 0.918215 Fe\n0.495114 0.463437 0.357002 Fe\n0.245209 0.797443 0.142698 O\n0.173996 0.757077 0.602814 O\n0.242569 0.830977 0.902448 O\n0.188169 0.766860 0.365608 O\n0.374761 0.327700 0.020402 O\n0.330231 0.277370 0.247265 O\n0.275877 0.261162 0.468346 O\n0.240198 0.266626 0.727863 O\n0.767919 0.730081 0.028233 O\n0.716997 0.676314 0.250527 O\n0.725155 0.743473 0.772819 O\n0.862603 0.194766 0.137294 O\n0.800777 0.160553 0.365453 O\n0.748627 0.184581 0.599247 O\n0.664112 0.657923 0.482057 F\n0.794830 0.241459 0.878401 F\n",
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"F"
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"formula_full": "Mg1 Fe8 O14 F2",
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"updated_at": "2021-11-28T01:37:29.118000Z",
"spacegroup": 1
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{
"id": "mp-755567",
"created_at": "2022-09-04T14:39:43.419138Z",
"structure_string": "Fe6 O8 F4\n1.0\n4.679750 0.000000 0.000000\n0.000000 4.679750 0.000000\n0.000000 0.000000 9.132089\nFe O F\n6 8 4\ndirect\n0.500000 0.500000 0.681017 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.318983 Fe\n0.000000 0.000000 0.818983 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.181017 Fe\n0.693749 0.306251 0.843899 O\n0.693749 0.306251 0.156101 O\n0.806251 0.806251 0.656101 O\n0.806251 0.806251 0.343899 O\n0.193749 0.193749 0.656101 O\n0.193749 0.193749 0.343899 O\n0.306251 0.693749 0.843899 O\n0.306251 0.693749 0.156101 O\n0.688588 0.311412 0.500000 F\n0.811412 0.811412 0.000000 F\n0.188588 0.188588 0.000000 F\n0.311412 0.688588 0.500000 F\n",
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"density": 4.475791082045197,
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"volume": 199.9932975960956,
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"formula_full": "Fe6 O8 F4",
"formula_reduced": "Fe3(O2F)2",
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{
"id": "mp-943469",
"created_at": "2022-09-04T14:44:09.021101Z",
"structure_string": "Li4 Mn4 H4 S4 O20\n1.0\n5.591860 0.000000 0.000000\n0.000000 7.677604 0.000000\n0.000000 3.571458 9.316813\nLi Mn H S O\n4 4 4 4 20\ndirect\n0.438944 0.688169 0.085720 Li\n0.938944 0.811831 0.914280 Li\n0.561056 0.311831 0.914280 Li\n0.061056 0.188169 0.085720 Li\n0.765983 0.875640 0.555949 Mn\n0.265983 0.624360 0.444051 Mn\n0.234017 0.124360 0.444051 Mn\n0.734017 0.375640 0.555949 Mn\n0.499280 0.402892 0.330711 H\n0.999280 0.097108 0.669289 H\n0.500720 0.597108 0.669289 H\n0.000720 0.902892 0.330711 H\n0.061214 0.507449 0.791355 S\n0.561214 0.992551 0.208645 S\n0.938786 0.492551 0.208645 S\n0.438786 0.007449 0.791355 S\n0.929347 0.127871 0.572952 O\n0.429347 0.372129 0.427048 O\n0.070653 0.872129 0.427048 O\n0.570653 0.627871 0.572952 O\n0.445635 0.966221 0.654577 O\n0.945635 0.533779 0.345423 O\n0.554365 0.033779 0.345423 O\n0.054365 0.466221 0.654577 O\n0.548095 0.195126 0.763049 O\n0.048095 0.304874 0.236951 O\n0.451905 0.804874 0.236951 O\n0.951905 0.695126 0.763049 O\n0.686823 0.492941 0.162029 O\n0.186823 0.007059 0.837971 O\n0.313177 0.507059 0.837971 O\n0.813177 0.992941 0.162029 O\n0.419846 0.136350 0.095774 O\n0.919846 0.363650 0.904226 O\n0.580154 0.863650 0.904226 O\n0.080154 0.636350 0.095774 O\n",
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"formula_full": "Li4 Mn4 H4 S4 O20",
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{
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"structure_string": "V6 O8 F4\n1.0\n3.282386 -9.938420 0.000000\n3.282386 9.938420 0.000000\n0.000000 0.000000 3.065376\nV O F\n6 8 4\ndirect\n0.006670 0.993330 0.000000 V\n0.165918 0.834082 0.500000 V\n0.507040 0.492960 0.500000 V\n0.667066 0.332934 0.000000 V\n0.326346 0.673654 0.000000 V\n0.827725 0.172275 0.500000 V\n0.069738 0.930262 0.500000 O\n0.694754 0.693922 0.000000 O\n0.306078 0.305246 0.000000 O\n0.619976 0.954755 0.000000 O\n0.601427 0.398573 0.500000 O\n0.265313 0.734687 0.500000 O\n0.729895 0.270105 0.500000 O\n0.045245 0.380024 0.000000 O\n0.972013 0.638054 0.000000 F\n0.398563 0.601437 0.500000 F\n0.361946 0.027987 0.000000 F\n0.933991 0.066009 0.500000 F\n",
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{
"id": "mp-1042834",
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"structure_string": "V6 Zn4 O16\n1.0\n5.912711 0.000016 -0.000004\n-2.956341 5.120679 -0.000006\n-0.000007 -0.000015 9.541497\nV Zn O\n6 4 16\ndirect\n0.838214 0.162515 0.743437 V\n0.837485 0.675691 0.743414 V\n0.324284 0.161782 0.743424 V\n0.675497 0.837087 0.243425 V\n0.161577 0.324514 0.243418 V\n0.162930 0.838427 0.243425 V\n0.666685 0.333354 0.026477 Zn\n0.333312 0.666638 0.526461 Zn\n0.666671 0.333341 0.423245 Zn\n0.333320 0.666646 0.923297 Zn\n0.000008 0.000013 0.353852 O\n0.999992 0.999987 0.853802 O\n0.333330 0.666670 0.133203 O\n0.666674 0.333331 0.633169 O\n0.840617 0.166963 0.146399 O\n0.673653 0.834397 0.646470 O\n0.160745 0.326325 0.646480 O\n0.833055 0.673671 0.146398 O\n0.326344 0.159403 0.146393 O\n0.165600 0.839258 0.646479 O\n0.515264 0.480893 0.862409 O\n0.034394 0.520164 0.362372 O\n0.485764 0.965618 0.362378 O\n0.519109 0.034349 0.862408 O\n0.965629 0.484721 0.862399 O\n0.479850 0.514248 0.362377 O\n",
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{
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