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{
"id": "mp-16185",
"created_at": "2022-09-04T14:42:03.548518Z",
"structure_string": "Mn12 Ag2 P14 O48\n1.0\n5.438009 -0.032111 0.000000\n-1.958961 6.361572 0.000000\n0.000000 0.000000 27.125963\nMn Ag P O\n12 2 14 48\ndirect\n0.811638 0.314331 0.454846 Mn\n0.188361 0.685669 0.954846 Mn\n0.811638 0.314331 0.045154 Mn\n0.188361 0.685669 0.545154 Mn\n0.793693 0.913606 0.597665 Mn\n0.206307 0.086394 0.097665 Mn\n0.127593 0.279341 0.817132 Mn\n0.206307 0.086394 0.402335 Mn\n0.872407 0.720660 0.182868 Mn\n0.127593 0.279341 0.682868 Mn\n0.793693 0.913606 0.902335 Mn\n0.872407 0.720660 0.317132 Mn\n0.773602 0.586865 0.750000 Ag\n0.226397 0.413134 0.250000 Ag\n0.315375 0.618046 0.109004 P\n0.684626 0.381953 0.609004 P\n0.684626 0.381953 0.890996 P\n0.315375 0.618046 0.390996 P\n0.250564 0.809041 0.832167 P\n0.749437 0.190959 0.332168 P\n0.749437 0.190959 0.167832 P\n0.250564 0.809041 0.667832 P\n0.452201 0.912883 0.250000 P\n0.547798 0.087116 0.750000 P\n0.706436 0.795107 0.024460 P\n0.293565 0.204893 0.975540 P\n0.706436 0.795107 0.475540 P\n0.293565 0.204893 0.524460 P\n0.851687 0.630322 0.022623 O\n0.148314 0.369678 0.522623 O\n0.148314 0.369678 0.977377 O\n0.851687 0.630322 0.477377 O\n0.590200 0.825237 0.974234 O\n0.409799 0.174763 0.474234 O\n0.409799 0.174763 0.025766 O\n0.590200 0.825237 0.525766 O\n0.869090 0.002967 0.047689 O\n0.130909 0.997033 0.547689 O\n0.130909 0.997033 0.952311 O\n0.869090 0.002967 0.452311 O\n0.449517 0.712706 0.057457 O\n0.550483 0.287296 0.557457 O\n0.141447 0.397157 0.094879 O\n0.449517 0.712706 0.442543 O\n0.835976 0.201278 0.750000 O\n0.164023 0.798721 0.250000 O\n0.370095 0.226673 0.750000 O\n0.629904 0.773327 0.250000 O\n0.495527 0.934296 0.703758 O\n0.504472 0.065703 0.203758 O\n0.504472 0.065703 0.296243 O\n0.495527 0.934296 0.796242 O\n0.514411 0.614026 0.147369 O\n0.485588 0.385974 0.647369 O\n0.485588 0.385974 0.852631 O\n0.514411 0.614026 0.352631 O\n0.070987 0.947924 0.664752 O\n0.929012 0.052076 0.164752 O\n0.929012 0.052076 0.335248 O\n0.070987 0.947924 0.835248 O\n0.391268 0.792710 0.619972 O\n0.608732 0.207290 0.119972 O\n0.608732 0.207290 0.380028 O\n0.391268 0.792710 0.880028 O\n0.123131 0.599761 0.693748 O\n0.876868 0.400238 0.193748 O\n0.876868 0.400238 0.306252 O\n0.123131 0.599761 0.806252 O\n0.154483 0.766010 0.122730 O\n0.845516 0.233990 0.622730 O\n0.845516 0.233990 0.877270 O\n0.154483 0.766010 0.377270 O\n0.141447 0.397157 0.405121 O\n0.858552 0.602843 0.905121 O\n0.858552 0.602843 0.594879 O\n0.550483 0.287296 0.942543 O\n",
"nsites": 76,
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"elements": [
"Mn",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-Mn-O-P",
"density": 3.6813080440478925,
"density_atomic": 0.08113616427497096,
"volume": 936.6969794435381,
"volume_molar": 7.422264552205017,
"formula_full": "Mn12 Ag2 P14 O48",
"formula_reduced": "Mn6AgP7O24",
"formula_anonymous": "AB6C7D24",
"energy": -619.1930594799999,
"energy_per_atom": -8.147277098421052,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -566.20105948,
"band_gap": 2.3092,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 60.0001847,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.329000Z",
"spacegroup": 11
},
{
"id": "mp-1173592",
"created_at": "2022-09-04T14:46:56.734229Z",
"structure_string": "Na6 Mn6 Fe6 P12 O48\n1.0\n10.804039 -0.637442 7.329588\n4.357044 8.136509 1.577681\n-1.400571 -0.189890 9.250191\nNa Mn Fe P O\n6 6 6 12 48\ndirect\n0.118951 0.986806 0.013680 Na\n0.250000 0.500000 0.500000 Na\n0.381049 0.013194 0.986320 Na\n0.499493 0.498013 0.502121 Na\n0.750000 0.500000 0.500000 Na\n0.000507 0.501987 0.497879 Na\n0.096597 0.069332 0.378466 Mn\n0.124498 0.265210 0.728779 Mn\n0.375502 0.734790 0.271221 Mn\n0.403403 0.930668 0.621534 Mn\n0.625866 0.262838 0.736796 Mn\n0.874134 0.737162 0.263204 Mn\n0.347126 0.380191 0.063655 Fe\n0.152874 0.619809 0.936345 Fe\n0.595184 0.064381 0.372327 Fe\n0.845679 0.369031 0.064230 Fe\n0.654321 0.630969 0.935770 Fe\n0.904816 0.935619 0.627673 Fe\n0.075843 0.347308 0.125682 P\n0.126637 0.712940 0.283059 P\n0.329259 0.131287 0.339580 P\n0.170741 0.868713 0.660420 P\n0.373363 0.287060 0.716941 P\n0.572007 0.350576 0.135840 P\n0.424157 0.652692 0.874318 P\n0.629664 0.709458 0.280710 P\n0.819950 0.133003 0.351950 P\n0.680050 0.866997 0.648050 P\n0.870336 0.290542 0.719290 P\n0.927993 0.649424 0.864160 P\n0.027697 0.333745 0.001426 O\n0.139350 0.175894 0.162158 O\n0.181167 0.408774 0.043442 O\n0.063483 0.739515 0.166479 O\n0.295563 0.996603 0.318661 O\n0.024223 0.740745 0.457367 O\n0.216715 0.269254 0.470331 O\n0.039727 0.520656 0.723355 O\n0.372125 0.191493 0.173221 O\n0.224820 0.534427 0.260705 O\n0.193027 0.822198 0.251427 O\n0.440188 0.055955 0.388393 O\n0.059812 0.944045 0.611607 O\n0.306973 0.177802 0.748573 O\n0.528097 0.335877 0.007485 O\n0.275180 0.465573 0.739295 O\n0.127875 0.808507 0.826779 O\n0.460273 0.479344 0.276645 O\n0.283285 0.730746 0.529669 O\n0.622655 0.187149 0.193016 O\n0.475777 0.259255 0.542633 O\n0.204437 0.003397 0.681339 O\n0.436517 0.260485 0.833521 O\n0.680960 0.403729 0.053159 O\n0.318833 0.591226 0.956558 O\n0.568002 0.735375 0.163723 O\n0.775078 0.008355 0.331847 O\n0.528554 0.727727 0.450703 O\n0.360650 0.824106 0.837842 O\n0.708797 0.277488 0.476494 O\n0.533097 0.529639 0.728517 O\n0.878825 0.185160 0.185064 O\n0.736468 0.535204 0.250318 O\n0.472303 0.666255 0.998574 O\n0.689313 0.826834 0.261681 O\n0.926071 0.046711 0.407862 O\n0.573929 0.953289 0.592138 O\n0.810687 0.173166 0.738319 O\n0.763532 0.464796 0.749682 O\n0.621175 0.814840 0.814936 O\n0.966903 0.470361 0.271483 O\n0.791203 0.722512 0.523506 O\n0.971446 0.272273 0.549297 O\n0.724922 0.991645 0.668153 O\n0.931998 0.264625 0.836277 O\n0.819040 0.596271 0.946841 O\n0.877345 0.812851 0.806984 O\n0.971903 0.664123 0.992515 O\n",
"nsites": 78,
"nelements": 5,
"elements": [
"Na",
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-Na-O-P",
"density": 3.5020698567085384,
"density_atomic": 0.08469455952635686,
"volume": 920.9564396604067,
"volume_molar": 7.11042219674797,
"formula_full": "Na6 Mn6 Fe6 P12 O48",
"formula_reduced": "NaMnFe(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -609.4765882199999,
"energy_per_atom": -7.813802413076922,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:48.497000Z",
"spacegroup": 2
},
{
"id": "mp-758375",
"created_at": "2022-09-04T14:42:00.399989Z",
"structure_string": "Li8 Fe12 Co4 O32\n1.0\n8.115360 0.000000 0.000000\n0.000000 8.115360 0.000000\n0.000000 0.000000 8.115360\nLi Fe Co O\n8 12 4 32\ndirect\n0.125676 0.874324 0.374324 Li\n0.251587 0.751587 0.748413 Li\n0.248413 0.248413 0.248413 Li\n0.374324 0.125676 0.874324 Li\n0.625676 0.625676 0.625676 Li\n0.751587 0.748413 0.251587 Li\n0.748413 0.251587 0.751587 Li\n0.874324 0.374324 0.125676 Li\n0.126986 0.620421 0.120108 Fe\n0.120421 0.379892 0.873014 Fe\n0.120108 0.126986 0.620421 Fe\n0.379892 0.873014 0.120421 Fe\n0.379579 0.620108 0.373014 Fe\n0.373014 0.379579 0.620108 Fe\n0.626986 0.879579 0.879892 Fe\n0.620421 0.120108 0.126986 Fe\n0.620108 0.373014 0.379579 Fe\n0.879892 0.626986 0.879579 Fe\n0.879579 0.879892 0.626986 Fe\n0.873014 0.120421 0.379892 Fe\n0.994556 0.505444 0.494556 Co\n0.505444 0.494556 0.994556 Co\n0.494556 0.994556 0.505444 Co\n0.005444 0.005444 0.005444 Co\n0.104210 0.127513 0.394869 O\n0.105131 0.895790 0.627513 O\n0.114691 0.614691 0.885309 O\n0.127513 0.394869 0.104210 O\n0.121986 0.144378 0.862386 O\n0.132953 0.367047 0.632953 O\n0.137614 0.621986 0.355622 O\n0.144378 0.862386 0.121986 O\n0.355622 0.137614 0.621986 O\n0.362386 0.378014 0.855622 O\n0.367047 0.632953 0.132953 O\n0.378014 0.855622 0.362386 O\n0.372487 0.605131 0.604210 O\n0.385309 0.385309 0.385309 O\n0.394869 0.104210 0.127513 O\n0.395790 0.872487 0.894869 O\n0.604210 0.372487 0.605131 O\n0.605131 0.604210 0.372487 O\n0.614691 0.885309 0.114691 O\n0.627513 0.105131 0.895790 O\n0.621986 0.355622 0.137614 O\n0.632953 0.132953 0.367047 O\n0.637614 0.878014 0.644378 O\n0.644378 0.637614 0.878014 O\n0.855622 0.362386 0.378014 O\n0.862386 0.121986 0.144378 O\n0.867047 0.867047 0.867047 O\n0.878014 0.644378 0.637614 O\n0.872487 0.894869 0.395790 O\n0.885309 0.114691 0.614691 O\n0.894869 0.395790 0.872487 O\n0.895790 0.627513 0.105131 O\n",
"nsites": 56,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.577632917200776,
"density_atomic": 0.10477668574715523,
"volume": 534.4700455131589,
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"formula_full": "Li8 Fe12 Co4 O32",
"formula_reduced": "Li2Fe3CoO8",
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"energy": -387.35230404,
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"band_gap": 0.0049000000000001,
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"total_magnetization": 60.0001576,
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"updated_at": "2021-11-28T01:35:36.897000Z",
"spacegroup": 198
},
{
"id": "mp-850535",
"created_at": "2022-09-04T14:45:30.612062Z",
"structure_string": "K8 Mn12 H40 S16 O84\n1.0\n10.034777 0.000000 0.012167\n0.000000 9.940899 0.000000\n-4.632137 0.000000 18.843330\nK Mn H S O\n8 12 40 16 84\ndirect\n0.290117 0.989940 0.760612 K\n0.137104 0.149177 0.380699 K\n0.362896 0.649177 0.619301 K\n0.209883 0.489940 0.239388 K\n0.790117 0.510060 0.760612 K\n0.637104 0.350823 0.380699 K\n0.862896 0.850823 0.619301 K\n0.709883 0.010060 0.239388 K\n0.195591 0.343659 0.820171 Mn\n0.058786 0.785776 0.442995 Mn\n0.033208 0.132750 0.161950 Mn\n0.466792 0.632750 0.838050 Mn\n0.441214 0.285776 0.557005 Mn\n0.304409 0.843659 0.179829 Mn\n0.695591 0.156341 0.820171 Mn\n0.558786 0.714224 0.442995 Mn\n0.533208 0.367250 0.161950 Mn\n0.966792 0.867250 0.838050 Mn\n0.941214 0.214224 0.557005 Mn\n0.804409 0.656341 0.179829 Mn\n0.078983 0.464727 0.919496 H\n0.055042 0.425636 0.645987 H\n0.048009 0.673495 0.582515 H\n0.084056 0.364260 0.478107 H\n0.180298 0.353839 0.626432 H\n0.304899 0.516495 0.929553 H\n0.021119 0.652176 0.114014 H\n0.395384 0.825048 0.911200 H\n0.430659 0.422902 0.918710 H\n0.022532 0.239510 0.026082 H\n0.477468 0.739510 0.973918 H\n0.069341 0.922902 0.081290 H\n0.104616 0.325048 0.088800 H\n0.478881 0.152176 0.885986 H\n0.578983 0.035273 0.919496 H\n0.195101 0.016495 0.070447 H\n0.319702 0.853839 0.373568 H\n0.415944 0.864260 0.521893 H\n0.555042 0.074364 0.645987 H\n0.451991 0.173495 0.417485 H\n0.548009 0.826505 0.582515 H\n0.444958 0.925636 0.354013 H\n0.584056 0.135740 0.478107 H\n0.680298 0.146161 0.626432 H\n0.804899 0.983505 0.929553 H\n0.421017 0.964727 0.080504 H\n0.521119 0.847824 0.114014 H\n0.895384 0.674952 0.911200 H\n0.930659 0.077098 0.918710 H\n0.522532 0.260490 0.026082 H\n0.977468 0.760490 0.973918 H\n0.569341 0.577098 0.081290 H\n0.604616 0.174952 0.088800 H\n0.978881 0.347824 0.885986 H\n0.695101 0.483505 0.070447 H\n0.819702 0.646161 0.373568 H\n0.915944 0.635740 0.521893 H\n0.951991 0.326505 0.417485 H\n0.944958 0.574364 0.354013 H\n0.921017 0.535273 0.080504 H\n0.198837 0.086143 0.937019 S\n0.131082 0.658613 0.748973 S\n0.055417 0.858341 0.268866 S\n0.222344 0.023901 0.565554 S\n0.277656 0.523901 0.434446 S\n0.444583 0.358341 0.731134 S\n0.368918 0.158613 0.251027 S\n0.698837 0.413857 0.937019 S\n0.301163 0.586143 0.062981 S\n0.631082 0.841387 0.748973 S\n0.555417 0.641659 0.268866 S\n0.722344 0.476099 0.565554 S\n0.777656 0.976099 0.434446 S\n0.944583 0.141659 0.731134 S\n0.868918 0.341387 0.251027 S\n0.801163 0.913857 0.062981 S\n0.038201 0.418530 0.874376 O\n0.072026 0.153186 0.949120 O\n0.003799 0.704846 0.769544 O\n0.084794 0.199369 0.743982 O\n0.211449 0.546019 0.994063 O\n0.158996 0.964174 0.890975 O\n0.130194 0.507953 0.745764 O\n0.006562 0.301651 0.465016 O\n0.082640 0.376064 0.607771 O\n0.086675 0.046542 0.583537 O\n0.134223 0.713351 0.678184 O\n0.272539 0.181526 0.899076 O\n0.252361 0.708071 0.803522 O\n0.045457 0.005132 0.252366 O\n0.349955 0.479367 0.892849 O\n0.127812 0.844119 0.345382 O\n0.207551 0.918869 0.508127 O\n0.020274 0.273095 0.073767 O\n0.174454 0.477926 0.371890 O\n0.367037 0.286212 0.776269 O\n0.264774 0.151633 0.535907 O\n0.235226 0.651633 0.464093 O\n0.132963 0.786212 0.223731 O\n0.325546 0.977926 0.628110 O\n0.479726 0.773096 0.926233 O\n0.292449 0.418869 0.491873 O\n0.372188 0.344119 0.654618 O\n0.150044 0.979367 0.107151 O\n0.454543 0.505132 0.747634 O\n0.538201 0.081470 0.874376 O\n0.572026 0.346814 0.949120 O\n0.503799 0.795154 0.769544 O\n0.247639 0.208071 0.196478 O\n0.227461 0.681526 0.100924 O\n0.365777 0.213351 0.321816 O\n0.413325 0.546542 0.416463 O\n0.417360 0.876064 0.392229 O\n0.584794 0.300631 0.743982 O\n0.711449 0.953981 0.994063 O\n0.658996 0.535826 0.890975 O\n0.493438 0.801651 0.534984 O\n0.369806 0.007953 0.254236 O\n0.630194 0.992047 0.745764 O\n0.506562 0.198349 0.465016 O\n0.341004 0.464174 0.109025 O\n0.288551 0.046019 0.005937 O\n0.415206 0.699369 0.256018 O\n0.582640 0.123936 0.607771 O\n0.586675 0.453458 0.583537 O\n0.634223 0.786649 0.678184 O\n0.772539 0.318474 0.899076 O\n0.752361 0.791929 0.803522 O\n0.496201 0.204846 0.230456 O\n0.427974 0.653186 0.050880 O\n0.461799 0.918530 0.125624 O\n0.545457 0.494868 0.252366 O\n0.849955 0.020633 0.892849 O\n0.627812 0.655881 0.345382 O\n0.707551 0.581131 0.508127 O\n0.520274 0.226904 0.073767 O\n0.674454 0.022074 0.371890 O\n0.867037 0.213788 0.776269 O\n0.764774 0.348367 0.535907 O\n0.735226 0.848367 0.464093 O\n0.632963 0.713788 0.223731 O\n0.825546 0.522074 0.628110 O\n0.979726 0.726904 0.926233 O\n0.792449 0.081131 0.491873 O\n0.872188 0.155881 0.654618 O\n0.650045 0.520633 0.107151 O\n0.954543 0.994868 0.747634 O\n0.747639 0.291929 0.196478 O\n0.727461 0.818474 0.100924 O\n0.865777 0.286649 0.321816 O\n0.913325 0.953458 0.416463 O\n0.917360 0.623936 0.392229 O\n0.993438 0.698349 0.534984 O\n0.869806 0.492047 0.254236 O\n0.841004 0.035826 0.109025 O\n0.788551 0.453981 0.005937 O\n0.915206 0.800631 0.256018 O\n0.996201 0.295154 0.230456 O\n0.927974 0.846814 0.050880 O\n0.961799 0.581470 0.125624 O\n",
"nsites": 160,
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"elements": [
"K",
"Mn",
"H",
"S",
"O"
],
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"volume": 1880.2710798923476,
"volume_molar": 7.077035693793078,
"formula_full": "K8 Mn12 H40 S16 O84",
"formula_reduced": "K2Mn3H10S4O21",
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"energy": -1023.49325121,
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{
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"structure_string": "Li8 Mn12 Si16 O48\n1.0\n7.672628 0.000000 0.000000\n0.000000 10.388620 0.000000\n0.000000 0.000000 14.092742\nLi Mn Si O\n8 12 16 48\ndirect\n0.032276 0.750000 0.140377 Li\n0.236383 0.750000 0.495150 Li\n0.263617 0.250000 0.995150 Li\n0.467724 0.250000 0.640377 Li\n0.532276 0.750000 0.359623 Li\n0.736383 0.750000 0.004850 Li\n0.763617 0.250000 0.504850 Li\n0.967724 0.250000 0.859623 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.229774 0.750000 0.715317 Mn\n0.292106 0.750000 0.939455 Mn\n0.207894 0.250000 0.439455 Mn\n0.270226 0.250000 0.215317 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.729774 0.750000 0.784683 Mn\n0.707894 0.250000 0.060545 Mn\n0.792106 0.750000 0.560545 Mn\n0.770226 0.250000 0.284683 Mn\n0.180220 0.037302 0.622924 Si\n0.180220 0.462698 0.622924 Si\n0.220449 0.538701 0.333539 Si\n0.220449 0.961299 0.333539 Si\n0.279551 0.038701 0.833539 Si\n0.279551 0.461299 0.833539 Si\n0.319780 0.537302 0.122924 Si\n0.319780 0.962698 0.122924 Si\n0.680220 0.037302 0.877076 Si\n0.680220 0.462698 0.877076 Si\n0.720449 0.538701 0.166461 Si\n0.720449 0.961299 0.166461 Si\n0.779551 0.038701 0.666461 Si\n0.779551 0.461299 0.666461 Si\n0.819780 0.537302 0.377076 Si\n0.819780 0.962698 0.377076 Si\n0.027199 0.578493 0.376519 O\n0.027199 0.921507 0.376519 O\n0.136854 0.390068 0.900484 O\n0.136854 0.109932 0.900484 O\n0.211165 0.883737 0.608125 O\n0.211165 0.616263 0.608125 O\n0.220135 0.614094 0.038036 O\n0.220135 0.885906 0.038036 O\n0.242260 0.118292 0.328209 O\n0.242260 0.381708 0.328209 O\n0.229873 0.592420 0.222700 O\n0.229873 0.907580 0.222700 O\n0.270127 0.407580 0.722700 O\n0.270127 0.092420 0.722700 O\n0.257740 0.618292 0.828209 O\n0.257740 0.881708 0.828209 O\n0.279865 0.114094 0.538036 O\n0.279865 0.385906 0.538036 O\n0.288835 0.116263 0.108125 O\n0.288835 0.383737 0.108125 O\n0.363146 0.609932 0.400484 O\n0.363146 0.890068 0.400484 O\n0.472801 0.078493 0.876519 O\n0.472801 0.421507 0.876519 O\n0.527199 0.921507 0.123481 O\n0.527199 0.578493 0.123481 O\n0.636854 0.109932 0.599516 O\n0.636854 0.390068 0.599516 O\n0.711165 0.616263 0.891875 O\n0.711165 0.883737 0.891875 O\n0.720135 0.614094 0.461964 O\n0.720135 0.885906 0.461964 O\n0.742260 0.118292 0.171791 O\n0.742260 0.381708 0.171791 O\n0.729873 0.592420 0.277300 O\n0.729873 0.907580 0.277300 O\n0.770127 0.092420 0.777300 O\n0.770127 0.407580 0.777300 O\n0.757740 0.618292 0.671791 O\n0.757740 0.881708 0.671791 O\n0.779865 0.114094 0.961964 O\n0.779865 0.385906 0.961964 O\n0.788835 0.116263 0.391875 O\n0.788835 0.383737 0.391875 O\n0.863146 0.609932 0.099516 O\n0.863146 0.890068 0.099516 O\n0.972801 0.078493 0.623481 O\n0.972801 0.421507 0.623481 O\n",
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{
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"structure_string": "Sr2 La14 Mg4 Fe12 O45\n1.0\n5.638672 0.000000 0.000000\n-0.002717 7.944191 0.000000\n-0.008618 -0.065988 22.574069\nSr La Mg Fe O\n2 14 4 12 45\ndirect\n0.994154 0.752050 0.010562 Sr\n0.986286 0.749456 0.755982 Sr\n0.984573 0.744389 0.503840 La\n0.993385 0.752825 0.247447 La\n0.526875 0.754449 0.886262 La\n0.526666 0.745711 0.633780 La\n0.522493 0.748962 0.378267 La\n0.510722 0.751998 0.127088 La\n0.484760 0.246019 0.872852 La\n0.482358 0.252113 0.620145 La\n0.486005 0.251603 0.370270 La\n0.493162 0.250562 0.118797 La\n0.018179 0.251235 0.746119 La\n0.016605 0.252862 0.492492 La\n0.011507 0.250806 0.242015 La\n0.000287 0.245464 0.998675 La\n0.991897 0.016773 0.875436 Mg\n0.993448 0.479683 0.624895 Mg\n0.990755 0.482459 0.373315 Mg\n0.989246 0.017878 0.373479 Mg\n0.500377 0.504969 0.000354 Fe\n0.505448 0.504375 0.750145 Fe\n0.504323 0.505458 0.251079 Fe\n0.501698 0.505936 0.500035 Fe\n0.503861 0.995552 0.998885 Fe\n0.503341 0.993362 0.752716 Fe\n0.502121 0.997123 0.251381 Fe\n0.501971 0.993351 0.497972 Fe\n0.989107 0.482205 0.876274 Fe\n0.002754 0.497709 0.124925 Fe\n0.991888 0.019354 0.624312 Fe\n0.002434 0.003935 0.124988 Fe\n0.081474 0.750734 0.126687 O\n0.227358 0.046921 0.806227 O\n0.229805 0.018428 0.307735 O\n0.230380 0.035457 0.557835 O\n0.226122 0.458226 0.808834 O\n0.226719 0.052358 0.056366 O\n0.238476 0.464030 0.558967 O\n0.241273 0.483086 0.309968 O\n0.227407 0.445659 0.056603 O\n0.274401 0.481644 0.928637 O\n0.271074 0.452427 0.682595 O\n0.267702 0.460112 0.433450 O\n0.273180 0.444405 0.183207 O\n0.282964 0.017067 0.928075 O\n0.271130 0.038934 0.678995 O\n0.275185 0.040632 0.431404 O\n0.274313 0.057106 0.182587 O\n0.432248 0.749069 0.005446 O\n0.421018 0.749688 0.743184 O\n0.407137 0.751036 0.496368 O\n0.418899 0.750846 0.236555 O\n0.594027 0.249265 0.753992 O\n0.586440 0.251531 0.261551 O\n0.592455 0.246275 0.504335 O\n0.576579 0.252524 0.993266 O\n0.725447 0.946820 0.820261 O\n0.735275 0.552964 0.820700 O\n0.748639 0.930350 0.568251 O\n0.735674 0.933798 0.317122 O\n0.719735 0.974716 0.071010 O\n0.744234 0.562184 0.566667 O\n0.746388 0.572638 0.316093 O\n0.720453 0.528684 0.070586 O\n0.777055 0.946641 0.688752 O\n0.767727 0.551413 0.689611 O\n0.775979 0.944319 0.942692 O\n0.777995 0.561784 0.940949 O\n0.777801 0.966632 0.193920 O\n0.777962 0.535683 0.193586 O\n0.776020 0.932983 0.441078 O\n0.769618 0.560417 0.440308 O\n0.909504 0.253324 0.883499 O\n0.901081 0.245520 0.624116 O\n0.895596 0.250229 0.381145 O\n0.917565 0.250815 0.129383 O\n",
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{
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{
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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 60.000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.242000Z",
"spacegroup": 14
}
]
}