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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=116",
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"results": [
{
"id": "mp-1076202",
"created_at": "2022-09-04T14:43:59.307307Z",
"structure_string": "Sr28 Ca4 Ti20 Mn12 O80\n1.0\n0.014215 -0.019023 11.201335\n11.426018 0.008732 0.014584\n-5.708113 15.937032 -5.633916\nSr Ca Ti Mn O\n28 4 20 12 80\ndirect\n0.308021 0.059203 0.610414 Sr\n0.314294 0.558648 0.611681 Sr\n0.807800 0.062295 0.608804 Sr\n0.806638 0.564860 0.107930 Sr\n0.804619 0.557973 0.611336 Sr\n0.199828 0.433398 0.390560 Sr\n0.201410 0.440054 0.890830 Sr\n0.198524 0.936981 0.389572 Sr\n0.202185 0.939317 0.892637 Sr\n0.697587 0.436534 0.393432 Sr\n0.695963 0.443530 0.889627 Sr\n0.695837 0.937223 0.387344 Sr\n0.695528 0.936173 0.890630 Sr\n0.059232 0.293481 0.108820 Sr\n0.053757 0.296087 0.610327 Sr\n0.058124 0.804868 0.612118 Sr\n0.555539 0.291106 0.106930 Sr\n0.562329 0.297869 0.608819 Sr\n0.558357 0.799732 0.113156 Sr\n0.560827 0.798788 0.610316 Sr\n0.444370 0.199697 0.384768 Sr\n0.444487 0.198702 0.890222 Sr\n0.446156 0.702975 0.388092 Sr\n0.448911 0.704361 0.893092 Sr\n0.943988 0.200537 0.387291 Sr\n0.952212 0.196531 0.889951 Sr\n0.948067 0.706730 0.391323 Sr\n0.948926 0.701326 0.890908 Sr\n0.302812 0.066988 0.108345 Ca\n0.303531 0.565850 0.104087 Ca\n0.797905 0.065088 0.104453 Ca\n0.053855 0.786146 0.104198 Ca\n0.004339 0.996203 0.998247 Ti\n0.003257 0.000326 0.497592 Ti\n0.002437 0.493791 0.992568 Ti\n0.008115 0.505187 0.506618 Ti\n0.506291 0.001243 0.004575 Ti\n0.503277 0.999911 0.497573 Ti\n0.503602 0.497831 0.997702 Ti\n0.503853 0.499743 0.498284 Ti\n0.257052 0.252748 0.003908 Ti\n0.259635 0.252237 0.509394 Ti\n0.257139 0.754089 0.005987 Ti\n0.260054 0.752263 0.509608 Ti\n0.752332 0.248449 0.994345 Ti\n0.751930 0.247279 0.497012 Ti\n0.758478 0.754970 0.005099 Ti\n0.757624 0.751699 0.506150 Ti\n0.099507 0.080778 0.242207 Ti\n0.110616 0.588974 0.248669 Ti\n0.604434 0.585517 0.246577 Ti\n0.852228 0.410468 0.249132 Ti\n0.112165 0.096135 0.751041 Mn\n0.113005 0.596461 0.753166 Mn\n0.604468 0.094744 0.247606 Mn\n0.611092 0.093681 0.748857 Mn\n0.612936 0.596605 0.751695 Mn\n0.365049 0.399532 0.247553 Mn\n0.361172 0.408666 0.752647 Mn\n0.355320 0.905855 0.245789 Mn\n0.363270 0.907343 0.754155 Mn\n0.860701 0.404694 0.748520 Mn\n0.860442 0.902913 0.247718 Mn\n0.861288 0.906845 0.751335 Mn\n0.125788 0.123272 0.489417 O\n0.127199 0.122360 0.996429 O\n0.123727 0.619642 0.486232 O\n0.126554 0.622120 0.997687 O\n0.623718 0.121066 0.489681 O\n0.630467 0.125626 0.994809 O\n0.625599 0.622484 0.490911 O\n0.627511 0.623977 0.996212 O\n0.139355 0.386665 0.017958 O\n0.130067 0.373622 0.500933 O\n0.136783 0.882365 0.018576 O\n0.133488 0.872730 0.504101 O\n0.636271 0.378631 0.011512 O\n0.631528 0.377784 0.506043 O\n0.639903 0.880816 0.013269 O\n0.631701 0.873010 0.502834 O\n0.370737 0.120621 0.488372 O\n0.377402 0.121231 0.995208 O\n0.371273 0.619330 0.487492 O\n0.378117 0.619460 0.996734 O\n0.875115 0.117982 0.489263 O\n0.878391 0.121604 0.000149 O\n0.873974 0.618661 0.487623 O\n0.882470 0.619623 0.996600 O\n0.386656 0.386788 0.015387 O\n0.378769 0.375833 0.503276 O\n0.385192 0.885895 0.015699 O\n0.379638 0.875295 0.504493 O\n0.889135 0.384044 0.015493 O\n0.883769 0.381452 0.504863 O\n0.891604 0.887579 0.018693 O\n0.880753 0.876603 0.503614 O\n0.096839 0.101588 0.144141 O\n0.074567 0.078034 0.623743 O\n0.090527 0.609684 0.147938 O\n0.075677 0.582940 0.624236 O\n0.586136 0.085914 0.127167 O\n0.569740 0.078515 0.622217 O\n0.589175 0.592018 0.141173 O\n0.568195 0.581679 0.624405 O\n0.444955 0.418817 0.370383 O\n0.448030 0.416702 0.877078 O\n0.438686 0.918556 0.370383 O\n0.450839 0.918960 0.878512 O\n0.934325 0.408561 0.357471 O\n0.949333 0.414885 0.876056 O\n0.950246 0.917957 0.371212 O\n0.948959 0.919442 0.878530 O\n0.325582 0.284491 0.128851 O\n0.323148 0.295086 0.626296 O\n0.324424 0.781125 0.128935 O\n0.322739 0.791465 0.626445 O\n0.826969 0.293456 0.143234 O\n0.823486 0.293374 0.623612 O\n0.833311 0.789007 0.128363 O\n0.824344 0.791885 0.625403 O\n0.185694 0.195289 0.345766 O\n0.195931 0.210510 0.878474 O\n0.190307 0.704816 0.351695 O\n0.197668 0.708993 0.879685 O\n0.694198 0.207018 0.372328 O\n0.703441 0.209574 0.876291 O\n0.684784 0.697322 0.353958 O\n0.704951 0.707637 0.878717 O\n0.415454 0.072076 0.239791 O\n0.428828 0.073935 0.750897 O\n0.434566 0.568708 0.240145 O\n0.429266 0.575725 0.753131 O\n0.932663 0.070166 0.238989 O\n0.927354 0.073201 0.749549 O\n0.946433 0.555671 0.248493 O\n0.928949 0.574376 0.751228 O\n0.180958 0.443778 0.248992 O\n0.177067 0.425995 0.749927 O\n0.157548 0.928494 0.240098 O\n0.179350 0.927086 0.752306 O\n0.677018 0.433437 0.249474 O\n0.678520 0.425796 0.749972 O\n0.680860 0.931831 0.250195 O\n0.678586 0.926029 0.751203 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.487333438871414,
"density_atomic": 0.07062081984471563,
"volume": 2039.0587409864959,
"volume_molar": 8.527429691756291,
"formula_full": "Sr28 Ca4 Ti20 Mn12 O80",
"formula_reduced": "Sr7CaTi5Mn3O20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1171.18154633,
"energy_per_atom": -8.133205182847222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1096.20554633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 59.0162284,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.402000Z",
"spacegroup": 1
},
{
"id": "mp-771651",
"created_at": "2022-09-04T14:45:27.107964Z",
"structure_string": "Li8 Mn13 Fe3 O32\n1.0\n-8.304328 0.000000 0.000000\n-0.081513 -8.662212 0.000000\n4.075360 4.250327 8.275534\nLi Mn Fe O\n8 13 3 32\ndirect\n0.564509 0.801943 0.875408 Li\n0.066135 0.302138 0.876869 Li\n0.186422 0.446009 0.623718 Li\n0.685963 0.947567 0.623517 Li\n0.314037 0.052433 0.376483 Li\n0.813578 0.553991 0.376282 Li\n0.435491 0.198057 0.124592 Li\n0.933865 0.697862 0.123131 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.125440 0.874947 0.749747 Mn\n0.625125 0.371235 0.749154 Mn\n0.875713 0.623944 0.749879 Mn\n0.375361 0.124464 0.750684 Mn\n0.500000 0.500000 0.500000 Mn\n0.749485 0.247890 0.500708 Mn\n0.250515 0.752110 0.499292 Mn\n0.124287 0.376056 0.250121 Mn\n0.624639 0.875536 0.249316 Mn\n0.374875 0.628765 0.250846 Mn\n0.874560 0.125053 0.250253 Mn\n0.249826 0.749408 0.998864 Fe\n0.750174 0.250592 0.001136 Fe\n0.000000 0.000000 0.500000 Fe\n0.998539 0.766609 0.984604 O\n0.728775 0.482424 0.987109 O\n0.499123 0.266779 0.986207 O\n0.229395 0.983039 0.986643 O\n0.401288 0.387097 0.766551 O\n0.901619 0.888849 0.766979 O\n0.614095 0.151027 0.757700 O\n0.113192 0.651645 0.755095 O\n0.349258 0.860795 0.732653 O\n0.137432 0.097397 0.744173 O\n0.849932 0.359733 0.734028 O\n0.632889 0.593391 0.737549 O\n0.250102 0.984352 0.514907 O\n0.524079 0.258530 0.515554 O\n0.020423 0.767709 0.513625 O\n0.747604 0.481791 0.514868 O\n0.749898 0.015648 0.485093 O\n0.979577 0.232291 0.486375 O\n0.475921 0.741470 0.484446 O\n0.252396 0.518209 0.485132 O\n0.862568 0.902603 0.255827 O\n0.367111 0.406609 0.262451 O\n0.650742 0.139205 0.267347 O\n0.150068 0.640267 0.265972 O\n0.098381 0.111151 0.233021 O\n0.886808 0.348355 0.244905 O\n0.385905 0.848973 0.242300 O\n0.598712 0.612903 0.233449 O\n0.001461 0.233391 0.015396 O\n0.770605 0.016961 0.013357 O\n0.271225 0.517576 0.012891 O\n0.500877 0.733221 0.013793 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.042589053225214,
"density_atomic": 0.09407163597996666,
"volume": 595.2910185587255,
"volume_molar": 6.401654119507888,
"formula_full": "Li8 Mn13 Fe3 O32",
"formula_reduced": "Li8Mn13Fe3O32",
"formula_anonymous": "A3B8C13D32",
"energy": -431.62185984,
"energy_per_atom": -7.707533211428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -381.18585984,
"band_gap": 0.3800000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 59.0033983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.542000Z",
"spacegroup": 2
},
{
"id": "mp-28525",
"created_at": "2022-09-04T14:44:00.369079Z",
"structure_string": "Mn15 Br6 O20\n1.0\n0.000000 6.671680 6.671680\n6.671680 0.000000 6.671680\n6.671680 6.671680 0.000000\nMn Br O\n15 6 20\ndirect\n0.000000 0.350103 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.350103 0.649897 0.000000 Mn\n0.000000 0.000000 0.649897 Mn\n0.000000 0.000000 0.350103 Mn\n0.649897 0.350103 0.000000 Mn\n0.649897 0.000000 0.350103 Mn\n0.000000 0.649897 0.000000 Mn\n0.350103 0.000000 0.649897 Mn\n0.649897 0.000000 0.000000 Mn\n0.000000 0.649897 0.350103 Mn\n0.000000 0.350103 0.649897 Mn\n0.350103 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.299620 0.299620 0.700380 Br\n0.299620 0.700380 0.700380 Br\n0.700380 0.299620 0.700380 Br\n0.299620 0.700380 0.299620 Br\n0.700380 0.299620 0.299620 Br\n0.700380 0.700380 0.299620 Br\n0.900324 0.900324 0.299028 O\n0.900324 0.299028 0.900324 O\n0.902129 0.902129 0.597871 O\n0.402129 0.402129 0.097871 O\n0.097871 0.097871 0.402129 O\n0.597871 0.597871 0.902129 O\n0.597871 0.902129 0.902129 O\n0.402129 0.097871 0.402129 O\n0.097871 0.402129 0.097871 O\n0.902129 0.597871 0.597871 O\n0.402129 0.097871 0.097871 O\n0.597871 0.902129 0.597871 O\n0.902129 0.597871 0.902129 O\n0.097871 0.402129 0.402129 O\n0.099676 0.099676 0.099676 O\n0.900324 0.900324 0.900324 O\n0.299028 0.900324 0.900324 O\n0.700972 0.099676 0.099676 O\n0.099676 0.700972 0.099676 O\n0.099676 0.099676 0.700972 O\n",
"nsites": 41,
"nelements": 3,
"elements": [
"Mn",
"Br",
"O"
],
"chemical_system": "Br-Mn-O",
"density": 4.5390099758428395,
"density_atomic": 0.06903164746095346,
"volume": 593.9304870739313,
"volume_molar": 8.723739011742866,
"formula_full": "Mn15 Br6 O20",
"formula_reduced": "Mn15(Br3O10)2",
"formula_anonymous": "A6B15C20",
"energy": -321.15756303,
"energy_per_atom": -7.8331112934146345,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -279.19356303,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 59.0025771,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.598000Z",
"spacegroup": 225
},
{
"id": "mp-1217554",
"created_at": "2022-09-04T14:39:29.287638Z",
"structure_string": "V17 Fe7 Pb4 O44\n1.0\n5.921310 0.000000 0.000000\n-0.031835 10.227831 0.000000\n-2.900264 -5.036887 13.705561\nV Fe Pb O\n17 7 4 44\ndirect\n0.496891 0.504069 0.501557 V\n0.993656 0.001470 0.502880 V\n0.002667 0.500070 0.499762 V\n0.503086 0.001609 0.500032 V\n0.244119 0.742318 0.499895 V\n0.749599 0.248864 0.502590 V\n0.252190 0.246885 0.000848 V\n0.756782 0.748086 0.998792 V\n0.744939 0.246184 0.000653 V\n0.244293 0.751513 0.001461 V\n0.498642 0.004778 0.997749 V\n0.997952 0.504863 0.002676 V\n0.674959 0.674811 0.351749 V\n0.921006 0.921513 0.844068 V\n0.076714 0.076700 0.150897 V\n0.571765 0.571305 0.148221 V\n0.321250 0.325954 0.648568 V\n0.116062 0.450358 0.234282 Fe\n0.614441 0.948199 0.229834 Fe\n0.864356 0.530579 0.731309 Fe\n0.363436 0.032334 0.730309 Fe\n0.175602 0.179479 0.356100 Fe\n0.424832 0.427267 0.853376 Fe\n0.821345 0.822325 0.645826 Fe\n0.636720 0.305445 0.276665 Pb\n0.138710 0.805633 0.278315 Pb\n0.381299 0.715408 0.773366 Pb\n0.883714 0.221631 0.774593 Pb\n0.936374 0.293342 0.419142 O\n0.442592 0.796837 0.422802 O\n0.471770 0.301138 0.420448 O\n0.975155 0.798818 0.420661 O\n0.709813 0.532007 0.418782 O\n0.202741 0.034181 0.420157 O\n0.221360 0.873414 0.917487 O\n0.722453 0.367692 0.919871 O\n0.710961 0.877694 0.917481 O\n0.191621 0.370281 0.921840 O\n0.456247 0.638054 0.919256 O\n0.958500 0.131875 0.919054 O\n0.038069 0.372033 0.080179 O\n0.537244 0.874336 0.080053 O\n0.783949 0.456994 0.582786 O\n0.284542 0.953572 0.582721 O\n0.149344 0.451325 0.751188 O\n0.646361 0.954484 0.754147 O\n0.598302 0.449494 0.750889 O\n0.104418 0.955943 0.759990 O\n0.879099 0.723732 0.755014 O\n0.372392 0.224324 0.747638 O\n0.849888 0.549140 0.250011 O\n0.349524 0.050229 0.248877 O\n0.397426 0.550168 0.249223 O\n0.899720 0.047503 0.246633 O\n0.125932 0.277019 0.252121 O\n0.623867 0.773567 0.248661 O\n0.787384 0.130785 0.076708 O\n0.279476 0.620915 0.072436 O\n0.288305 0.130517 0.075884 O\n0.801009 0.615343 0.074666 O\n0.535111 0.364342 0.074026 O\n0.052357 0.864530 0.074331 O\n0.062515 0.705600 0.577025 O\n0.553453 0.207873 0.575193 O\n0.527351 0.691046 0.574048 O\n0.031975 0.203053 0.574736 O\n0.289539 0.455844 0.574349 O\n0.801840 0.967010 0.576982 O\n0.220526 0.543183 0.419054 O\n0.723794 0.049592 0.421921 O\n0.974303 0.621423 0.921209 O\n0.458566 0.138295 0.920348 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"V",
"Fe",
"Pb",
"O"
],
"chemical_system": "Fe-O-Pb-V",
"density": 5.580942174906218,
"density_atomic": 0.08674297995923891,
"volume": 830.0383504674761,
"volume_molar": 6.9425108093241015,
"formula_full": "V17 Fe7 Pb4 O44",
"formula_reduced": "V17Fe7(PbO11)4",
"formula_anonymous": "A4B7C17D44",
"energy": -603.3288033700001,
"energy_per_atom": -8.379566713472222,
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"energy_uncorrected": -528.40880337,
"band_gap": 0.1913,
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"updated_at": "2021-11-28T01:34:32.818000Z",
"spacegroup": 1
},
{
"id": "mp-760336",
"created_at": "2022-09-04T14:42:20.003671Z",
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{
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"structure_string": "Li11 Mn12 B12 O36\n1.0\n8.851870 0.000000 0.000000\n-2.729533 8.460543 0.000000\n-1.527319 -2.156311 10.095872\nLi Mn B O\n11 12 12 36\ndirect\n0.721180 0.739079 0.021655 Li\n0.971046 0.988330 0.270822 Li\n0.062856 0.345318 0.045760 Li\n0.563325 0.845715 0.545477 Li\n0.340897 0.040964 0.061179 Li\n0.591232 0.291098 0.309084 Li\n0.840303 0.541143 0.556498 Li\n0.470364 0.487819 0.770718 Li\n0.221315 0.237604 0.519279 Li\n0.813097 0.095855 0.796184 Li\n0.091397 0.791278 0.808469 Li\n0.936881 0.928560 0.566741 Mn\n0.433858 0.430015 0.070670 Mn\n0.680880 0.678448 0.317491 Mn\n0.984880 0.352745 0.335183 Mn\n0.728299 0.101078 0.087054 Mn\n0.086502 0.719830 0.098419 Mn\n0.334987 0.964226 0.348601 Mn\n0.476916 0.849086 0.835578 Mn\n0.231172 0.597758 0.580595 Mn\n0.834405 0.474680 0.845007 Mn\n0.584915 0.223151 0.596560 Mn\n0.188916 0.178199 0.818315 Mn\n0.790898 0.459474 0.125308 B\n0.459156 0.797094 0.123538 B\n0.291192 0.957456 0.624362 B\n0.036937 0.708286 0.376463 B\n0.999073 0.998503 0.999921 B\n0.505684 0.500699 0.504154 B\n0.248075 0.241397 0.248138 B\n0.750112 0.750967 0.750330 B\n0.959182 0.291529 0.624683 B\n0.709074 0.043235 0.373434 B\n0.541275 0.208844 0.875734 B\n0.209429 0.542779 0.873520 B\n0.882630 0.963293 0.077764 O\n0.830677 0.578203 0.049929 O\n0.497164 0.911061 0.044944 O\n0.546223 0.692058 0.132214 O\n0.799088 0.941313 0.379593 O\n0.878404 0.353532 0.130880 O\n0.909055 0.699872 0.442703 O\n0.665434 0.448000 0.193262 O\n0.334320 0.794552 0.189673 O\n0.078739 0.826700 0.299642 O\n0.991323 0.408862 0.549835 O\n0.742324 0.161676 0.299013 O\n0.762717 0.878329 0.684808 O\n0.251195 0.351202 0.168823 O\n0.529250 0.632625 0.447803 O\n0.357635 0.155617 0.247500 O\n0.855224 0.662075 0.740430 O\n0.606048 0.406001 0.491844 O\n0.382799 0.856048 0.633830 O\n0.121737 0.604673 0.386294 O\n0.166940 0.946716 0.693358 O\n0.583457 0.026246 0.443137 O\n0.835035 0.275307 0.695433 O\n0.384305 0.459387 0.578227 O\n0.632854 0.712250 0.827162 O\n0.132887 0.209555 0.328374 O\n0.325748 0.070867 0.543904 O\n0.577621 0.325512 0.798648 O\n0.241553 0.659787 0.797657 O\n0.104160 0.909611 0.992104 O\n0.299608 0.440475 0.880235 O\n0.049809 0.188894 0.630473 O\n0.630945 0.104705 0.882512 O\n0.416523 0.196328 0.944404 O\n0.084995 0.527703 0.944202 O\n0.008651 0.121656 0.929608 O\n",
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"formula_full": "Li11 Mn12 B12 O36",
"formula_reduced": "Li11Mn12(BO3)12",
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"spacegroup": 1
},
{
"id": "mp-766484",
"created_at": "2022-09-04T14:45:33.919293Z",
"structure_string": "Li11 Mn12 B12 O36\n1.0\n-9.424351 0.000000 0.000000\n-0.390841 -9.734292 0.000000\n3.450268 4.099410 8.327814\nLi Mn B O\n11 12 12 36\ndirect\n0.970812 0.968226 0.672054 Li\n0.696516 0.031657 0.661291 Li\n0.637300 0.465650 0.503368 Li\n0.710688 0.532346 0.165996 Li\n0.637430 0.966415 0.005367 Li\n0.303853 0.464357 0.837247 Li\n0.362345 0.035153 0.996347 Li\n0.362454 0.533447 0.494797 Li\n0.303001 0.965969 0.338539 Li\n0.030475 0.032436 0.329786 Li\n0.030034 0.533707 0.828765 Li\n0.878250 0.206286 0.565039 Mn\n0.795718 0.298598 0.266509 Mn\n0.787316 0.795688 0.771809 Mn\n0.883862 0.694690 0.065147 Mn\n0.545804 0.205278 0.898180 Mn\n0.455510 0.294359 0.601482 Mn\n0.547345 0.704137 0.398521 Mn\n0.458361 0.794035 0.102200 Mn\n0.115324 0.301072 0.942083 Mn\n0.209305 0.207404 0.231636 Mn\n0.211242 0.705220 0.731976 Mn\n0.116459 0.786208 0.431228 Mn\n0.889214 0.129072 0.979674 B\n0.774283 0.367493 0.848739 B\n0.887859 0.634980 0.486471 B\n0.778113 0.866275 0.350941 B\n0.556481 0.133740 0.314070 B\n0.557527 0.631370 0.816335 B\n0.445771 0.367095 0.185112 B\n0.442073 0.867026 0.683925 B\n0.221544 0.132292 0.649568 B\n0.111379 0.367111 0.518985 B\n0.222539 0.638083 0.144785 B\n0.111174 0.867526 0.020014 B\n0.878804 0.013565 0.831064 O\n0.990549 0.246708 0.428446 O\n0.989587 0.747410 0.930800 O\n0.895699 0.364510 0.798162 O\n0.764965 0.487864 0.982917 O\n0.882843 0.520712 0.344679 O\n0.656811 0.243225 0.759371 O\n0.895033 0.862121 0.294217 O\n0.770183 0.134394 0.035315 O\n0.770079 0.640605 0.543783 O\n0.677901 0.253173 0.402032 O\n0.681030 0.750834 0.909498 O\n0.782890 0.982652 0.495773 O\n0.550224 0.016791 0.168885 O\n0.550990 0.518275 0.669559 O\n0.657930 0.745550 0.262090 O\n0.563369 0.363668 0.129151 O\n0.559262 0.863913 0.627921 O\n0.438920 0.136916 0.370537 O\n0.438115 0.636243 0.869956 O\n0.344403 0.251331 0.736893 O\n0.451063 0.482669 0.330865 O\n0.448566 0.981805 0.830238 O\n0.214844 0.014469 0.504668 O\n0.323483 0.248449 0.095878 O\n0.320943 0.746557 0.594267 O\n0.230532 0.363580 0.465088 O\n0.227983 0.863481 0.962760 O\n0.105097 0.140200 0.708196 O\n0.348276 0.753276 0.238047 O\n0.115570 0.482328 0.663952 O\n0.217599 0.519506 0.002784 O\n0.100827 0.653797 0.197597 O\n0.013801 0.240734 0.068720 O\n0.009782 0.755967 0.575890 O\n0.117254 0.982696 0.165297 O\n",
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{
"id": "mp-759606",
"created_at": "2022-09-04T14:43:34.404035Z",
"structure_string": "Fe12 O12 F12\n1.0\n9.490343 0.000544 0.000000\n0.000110 14.098703 0.000000\n0.000000 0.000000 3.096428\nFe O F\n12 12 12\ndirect\n0.010748 0.995041 0.000000 Fe\n0.024124 0.325390 0.000000 Fe\n0.995478 0.670419 0.000000 Fe\n0.267481 0.178460 0.500000 Fe\n0.217680 0.504811 0.500000 Fe\n0.217303 0.827264 0.500000 Fe\n0.508387 0.328992 0.000000 Fe\n0.524585 0.986512 0.000000 Fe\n0.504230 0.671921 0.000000 Fe\n0.726093 0.164035 0.500000 Fe\n0.776171 0.511635 0.500000 Fe\n0.745432 0.818337 0.500000 Fe\n0.100889 0.264298 0.500000 O\n0.085174 0.609064 0.500000 O\n0.095293 0.939219 0.500000 O\n0.138639 0.764837 0.000000 O\n0.145129 0.439790 0.000000 O\n0.354584 0.233763 0.000000 O\n0.601799 0.274970 0.500000 O\n0.603706 0.924383 0.500000 O\n0.650106 0.099085 0.000000 O\n0.655554 0.761207 0.000000 O\n0.855055 0.572867 0.000000 O\n0.900141 0.731443 0.500000 O\n0.156308 0.102159 0.000000 F\n0.345784 0.572931 0.000000 F\n0.345096 0.893595 0.000000 F\n0.400872 0.059400 0.500000 F\n0.403391 0.407089 0.500000 F\n0.394107 0.733960 0.500000 F\n0.592345 0.594168 0.500000 F\n0.659238 0.441835 0.000000 F\n0.849326 0.232658 0.000000 F\n0.847961 0.899864 0.000000 F\n0.903232 0.069934 0.500000 F\n0.898555 0.394663 0.500000 F\n",
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}
]
}