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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=10",
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"results": [
{
"id": "mp-1076190",
"created_at": "2022-09-04T14:43:23.692586Z",
"structure_string": "Sr16 Ca16 Mn20 Fe12 O80\n1.0\n-0.000449 -0.008214 11.037602\n11.167389 -0.001170 -0.000316\n-5.585171 15.811689 -5.529971\nSr Ca Mn Fe O\n16 16 20 12 80\ndirect\n0.308011 0.559691 0.611032 Sr\n0.807011 0.057438 0.608677 Sr\n0.810177 0.559319 0.610578 Sr\n0.195128 0.438714 0.386200 Sr\n0.199190 0.443042 0.893499 Sr\n0.696942 0.439723 0.386772 Sr\n0.697859 0.938190 0.387013 Sr\n0.699822 0.940491 0.892474 Sr\n0.060861 0.300030 0.610376 Sr\n0.059125 0.801633 0.610273 Sr\n0.558258 0.300963 0.610328 Sr\n0.556852 0.801104 0.608875 Sr\n0.445887 0.197991 0.387262 Sr\n0.449988 0.199891 0.890746 Sr\n0.948447 0.196971 0.386323 Sr\n0.948157 0.200278 0.891731 Sr\n0.305205 0.062932 0.105912 Ca\n0.306158 0.059842 0.604378 Ca\n0.307275 0.564842 0.108708 Ca\n0.804786 0.062965 0.105348 Ca\n0.806891 0.563082 0.107399 Ca\n0.199541 0.936882 0.392014 Ca\n0.202701 0.937604 0.897160 Ca\n0.702312 0.441449 0.897540 Ca\n0.055433 0.293419 0.106760 Ca\n0.056172 0.792926 0.106391 Ca\n0.554867 0.293001 0.105301 Ca\n0.554971 0.792579 0.105002 Ca\n0.448457 0.704792 0.392662 Ca\n0.450994 0.707012 0.896635 Ca\n0.948654 0.704740 0.390963 Ca\n0.951258 0.707458 0.897592 Ca\n0.005065 0.999437 0.498975 Mn\n0.002358 0.499401 0.497417 Mn\n0.256785 0.251417 0.003689 Mn\n0.252250 0.248256 0.498022 Mn\n0.107072 0.089998 0.244905 Mn\n0.117495 0.095188 0.754600 Mn\n0.109014 0.600806 0.247502 Mn\n0.114019 0.603983 0.755576 Mn\n0.607656 0.092853 0.245306 Mn\n0.609163 0.100231 0.749834 Mn\n0.607662 0.596427 0.246546 Mn\n0.612416 0.597785 0.754633 Mn\n0.358424 0.405894 0.246224 Mn\n0.365997 0.404593 0.754765 Mn\n0.355399 0.897203 0.247183 Mn\n0.360170 0.901531 0.751269 Mn\n0.857451 0.405483 0.244862 Mn\n0.861205 0.408111 0.754959 Mn\n0.859826 0.895620 0.244098 Mn\n0.866360 0.899577 0.751616 Mn\n0.008107 0.001501 0.003645 Fe\n0.006355 0.501991 0.003620 Fe\n0.506036 0.001341 0.003428 Fe\n0.501591 0.999099 0.497901 Fe\n0.506653 0.501664 0.002905 Fe\n0.501333 0.498373 0.496471 Fe\n0.256484 0.752131 0.002805 Fe\n0.251160 0.749379 0.497254 Fe\n0.756982 0.253509 0.004676 Fe\n0.753888 0.249776 0.498659 Fe\n0.756336 0.749921 0.002086 Fe\n0.753041 0.747661 0.496556 Fe\n0.127681 0.117378 0.491371 O\n0.130021 0.122194 0.993200 O\n0.118885 0.622288 0.489394 O\n0.123343 0.625134 0.993198 O\n0.624411 0.122753 0.493399 O\n0.625573 0.124362 0.995949 O\n0.621662 0.622825 0.490562 O\n0.624740 0.620802 0.990091 O\n0.138170 0.379771 0.015498 O\n0.131209 0.376756 0.505580 O\n0.135899 0.880445 0.011846 O\n0.130833 0.879633 0.503560 O\n0.637084 0.383329 0.015210 O\n0.631030 0.377258 0.504723 O\n0.633875 0.878179 0.012934 O\n0.627574 0.873504 0.501338 O\n0.370026 0.119315 0.491921 O\n0.372021 0.119750 0.992886 O\n0.374071 0.622144 0.491015 O\n0.378234 0.623534 0.993538 O\n0.878070 0.120553 0.494818 O\n0.877479 0.120971 0.994606 O\n0.876303 0.620965 0.491664 O\n0.874377 0.618480 0.989804 O\n0.384449 0.382139 0.014549 O\n0.378619 0.375996 0.504684 O\n0.385388 0.884348 0.013244 O\n0.377135 0.881822 0.505446 O\n0.884934 0.384905 0.013327 O\n0.881231 0.378689 0.503549 O\n0.887930 0.881562 0.013822 O\n0.882389 0.876820 0.502281 O\n0.086406 0.094052 0.134136 O\n0.084900 0.080396 0.639923 O\n0.078424 0.596889 0.134377 O\n0.073242 0.585267 0.640344 O\n0.580087 0.095987 0.134963 O\n0.574373 0.081682 0.633884 O\n0.576435 0.596605 0.134555 O\n0.573248 0.580544 0.637823 O\n0.436409 0.413835 0.363262 O\n0.445784 0.413078 0.868976 O\n0.435701 0.912172 0.363070 O\n0.444154 0.911127 0.866580 O\n0.932956 0.413252 0.357650 O\n0.943356 0.412384 0.867530 O\n0.939566 0.909752 0.358381 O\n0.946820 0.908648 0.866987 O\n0.330988 0.288702 0.131806 O\n0.327754 0.298961 0.640653 O\n0.327240 0.789066 0.134781 O\n0.318878 0.800171 0.634861 O\n0.834161 0.290679 0.134397 O\n0.826024 0.308260 0.638225 O\n0.831563 0.785018 0.132548 O\n0.824480 0.802490 0.634292 O\n0.181600 0.191928 0.358770 O\n0.193298 0.206121 0.870894 O\n0.191058 0.702477 0.363749 O\n0.200374 0.710374 0.869550 O\n0.687311 0.190776 0.362223 O\n0.686233 0.207359 0.865851 O\n0.694775 0.693413 0.362471 O\n0.698421 0.704555 0.866920 O\n0.429716 0.059558 0.240757 O\n0.429984 0.064107 0.743761 O\n0.430336 0.577956 0.249019 O\n0.440220 0.576668 0.759587 O\n0.928302 0.061120 0.238857 O\n0.940847 0.063502 0.750740 O\n0.928190 0.575108 0.248101 O\n0.939919 0.575851 0.760789 O\n0.174781 0.432223 0.240170 O\n0.192149 0.440238 0.752848 O\n0.179012 0.921929 0.247397 O\n0.189193 0.930521 0.760276 O\n0.676694 0.426707 0.239072 O\n0.687090 0.432824 0.759295 O\n0.681821 0.925342 0.239773 O\n0.691938 0.940585 0.752211 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.339740556016975,
"density_atomic": 0.07390723993083934,
"volume": 1948.3882788039687,
"volume_molar": 8.148241993119182,
"formula_full": "Sr16 Ca16 Mn20 Fe12 O80",
"formula_reduced": "Sr4Ca4Mn5Fe3O20",
"formula_anonymous": "A3B4C4D5E20",
"energy": -1095.08721686,
"energy_per_atom": -7.604772339305555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -979.69521686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 139.6502319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.687000Z",
"spacegroup": 1
},
{
"id": "mp-1076182",
"created_at": "2022-09-04T14:40:43.968433Z",
"structure_string": "Sr24 Ca8 Mn20 Fe12 O80\n1.0\n0.000528 -0.014731 11.107780\n11.189149 0.006274 0.000732\n-5.586504 15.982496 -5.574567\nSr Ca Mn Fe O\n24 8 20 12 80\ndirect\n0.308076 0.059327 0.609674 Sr\n0.307900 0.558056 0.609851 Sr\n0.808355 0.058818 0.609928 Sr\n0.810548 0.558307 0.610535 Sr\n0.196373 0.439832 0.388543 Sr\n0.199342 0.442351 0.893585 Sr\n0.196639 0.941435 0.388414 Sr\n0.698597 0.441230 0.388807 Sr\n0.701088 0.442977 0.893136 Sr\n0.699049 0.940873 0.389688 Sr\n0.700063 0.941247 0.892518 Sr\n0.058334 0.299413 0.110172 Sr\n0.060803 0.301916 0.610413 Sr\n0.058853 0.800651 0.610959 Sr\n0.557385 0.300839 0.608694 Sr\n0.556552 0.799396 0.109597 Sr\n0.557919 0.800870 0.608731 Sr\n0.447696 0.197420 0.387685 Sr\n0.450816 0.200304 0.892863 Sr\n0.447106 0.697821 0.388296 Sr\n0.450462 0.701562 0.893827 Sr\n0.948287 0.196942 0.386538 Sr\n0.948563 0.200163 0.892517 Sr\n0.947164 0.696473 0.386963 Sr\n0.304375 0.061335 0.104119 Ca\n0.304900 0.562808 0.105525 Ca\n0.804002 0.061168 0.103272 Ca\n0.804650 0.562100 0.104446 Ca\n0.202706 0.938509 0.897746 Ca\n0.056885 0.791629 0.103383 Ca\n0.556567 0.292609 0.105077 Ca\n0.953372 0.708240 0.897773 Ca\n0.003683 0.000043 0.499790 Mn\n0.002837 0.499496 0.499029 Mn\n0.256663 0.250603 0.003082 Mn\n0.252350 0.249299 0.498907 Mn\n0.104960 0.089040 0.242303 Mn\n0.113751 0.094129 0.755456 Mn\n0.109136 0.598539 0.246457 Mn\n0.110898 0.604522 0.756148 Mn\n0.607877 0.098031 0.246729 Mn\n0.613632 0.096908 0.751372 Mn\n0.607089 0.591471 0.245665 Mn\n0.615064 0.598505 0.751590 Mn\n0.362930 0.402575 0.246729 Mn\n0.362881 0.406285 0.754497 Mn\n0.354010 0.900902 0.244910 Mn\n0.359888 0.903594 0.753035 Mn\n0.854144 0.400638 0.242938 Mn\n0.863747 0.407304 0.753025 Mn\n0.860109 0.901086 0.244749 Mn\n0.866760 0.898438 0.752033 Mn\n0.006979 0.000361 0.002449 Fe\n0.006221 0.502452 0.003048 Fe\n0.505355 0.002122 0.002817 Fe\n0.502583 0.000373 0.499431 Fe\n0.506604 0.500905 0.004859 Fe\n0.502859 0.499036 0.498384 Fe\n0.254607 0.751626 0.002060 Fe\n0.251133 0.749643 0.499262 Fe\n0.756114 0.252180 0.004181 Fe\n0.754105 0.250140 0.499256 Fe\n0.758037 0.751915 0.003882 Fe\n0.753962 0.749337 0.499837 Fe\n0.124837 0.123109 0.494634 O\n0.130142 0.119986 0.991940 O\n0.123224 0.621792 0.495388 O\n0.122376 0.624689 0.992525 O\n0.625773 0.123783 0.495292 O\n0.624992 0.124972 0.997122 O\n0.625793 0.623568 0.495363 O\n0.628106 0.622716 0.996192 O\n0.137428 0.379552 0.010378 O\n0.129829 0.376347 0.503901 O\n0.133883 0.878827 0.010053 O\n0.127595 0.877771 0.504036 O\n0.634160 0.379721 0.013588 O\n0.630800 0.376442 0.504657 O\n0.635879 0.881291 0.010397 O\n0.629323 0.876071 0.502695 O\n0.373732 0.123989 0.494904 O\n0.373372 0.121974 0.995102 O\n0.373675 0.621350 0.494898 O\n0.374813 0.620144 0.997000 O\n0.877312 0.121504 0.495841 O\n0.876259 0.119625 0.994445 O\n0.876443 0.621183 0.495167 O\n0.879382 0.624218 0.993904 O\n0.384525 0.379729 0.014377 O\n0.377629 0.375031 0.502621 O\n0.380377 0.886035 0.010375 O\n0.378074 0.877827 0.503090 O\n0.882138 0.385346 0.011097 O\n0.880948 0.377441 0.502458 O\n0.886830 0.880851 0.011996 O\n0.880313 0.878494 0.503264 O\n0.084967 0.086374 0.132598 O\n0.080847 0.082887 0.643076 O\n0.083285 0.591949 0.134118 O\n0.072715 0.584376 0.642133 O\n0.580029 0.091761 0.135407 O\n0.574479 0.081143 0.635471 O\n0.580621 0.587698 0.135310 O\n0.574206 0.580930 0.636151 O\n0.441599 0.419613 0.364141 O\n0.441087 0.417573 0.868842 O\n0.433968 0.922919 0.361350 O\n0.442040 0.917969 0.867386 O\n0.932648 0.418497 0.356753 O\n0.940275 0.412982 0.865511 O\n0.937762 0.919115 0.358125 O\n0.945992 0.908836 0.866704 O\n0.326378 0.288006 0.133330 O\n0.326208 0.307097 0.641815 O\n0.324994 0.790870 0.134712 O\n0.319500 0.805362 0.636549 O\n0.827301 0.287396 0.133224 O\n0.829995 0.309696 0.637497 O\n0.830280 0.789147 0.134270 O\n0.825808 0.803744 0.635101 O\n0.181035 0.186834 0.355903 O\n0.193070 0.203586 0.868566 O\n0.181641 0.694697 0.363566 O\n0.194777 0.708947 0.869387 O\n0.684678 0.193399 0.362970 O\n0.689328 0.198687 0.866314 O\n0.686470 0.690040 0.361837 O\n0.695595 0.698621 0.865518 O\n0.431444 0.061497 0.239287 O\n0.439571 0.062546 0.751467 O\n0.430342 0.568376 0.240279 O\n0.444705 0.566809 0.753120 O\n0.929974 0.064934 0.237953 O\n0.939778 0.064941 0.752174 O\n0.928291 0.561610 0.238228 O\n0.940055 0.578246 0.760652 O\n0.188886 0.440326 0.248463 O\n0.191823 0.442449 0.753686 O\n0.178560 0.922002 0.239957 O\n0.188113 0.931134 0.760269 O\n0.677071 0.422776 0.240482 O\n0.691408 0.434337 0.750881 O\n0.690627 0.937882 0.247934 O\n0.693418 0.935883 0.751645 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.575835016726322,
"density_atomic": 0.07251190891385659,
"volume": 1985.880694039796,
"volume_molar": 8.305036855607046,
"formula_full": "Sr24 Ca8 Mn20 Fe12 O80",
"formula_reduced": "Sr6Ca2Mn5Fe3O20",
"formula_anonymous": "A2B3C5D6E20",
"energy": -1092.16422745,
"energy_per_atom": -7.584473801736111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -976.77222745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 139.2570069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.665000Z",
"spacegroup": 1
},
{
"id": "mp-1212398",
"created_at": "2022-09-04T14:41:47.398165Z",
"structure_string": "Li8 Eu20 Sn28\n1.0\n6.377428 0.000000 0.000000\n0.000000 13.946920 0.000000\n0.000000 0.000000 17.819569\nLi Eu Sn\n8 20 28\ndirect\n0.416977 0.231367 0.020303 Li\n0.083023 0.768633 0.520303 Li\n0.583023 0.731367 0.479697 Li\n0.916977 0.268633 0.979697 Li\n0.121152 0.767605 0.228842 Li\n0.378848 0.232395 0.728842 Li\n0.878848 0.267605 0.271158 Li\n0.621152 0.732395 0.771158 Li\n0.360518 0.180468 0.541166 Eu\n0.139482 0.819532 0.041166 Eu\n0.639482 0.680468 0.958834 Eu\n0.860518 0.319532 0.458834 Eu\n0.635936 0.000907 0.017413 Eu\n0.864064 0.999093 0.517413 Eu\n0.364064 0.500907 0.482587 Eu\n0.135936 0.499093 0.982587 Eu\n0.144978 0.497424 0.262402 Eu\n0.355022 0.502576 0.762402 Eu\n0.855022 0.997424 0.237598 Eu\n0.644978 0.002576 0.737598 Eu\n0.641700 0.423526 0.123717 Eu\n0.858300 0.576474 0.623717 Eu\n0.358300 0.923526 0.376283 Eu\n0.141700 0.076474 0.876283 Eu\n0.360971 0.176039 0.217160 Eu\n0.139029 0.823961 0.717160 Eu\n0.639029 0.676039 0.282840 Eu\n0.860971 0.323961 0.782840 Eu\n0.139240 0.061881 0.065381 Sn\n0.360760 0.938118 0.565381 Sn\n0.860760 0.561882 0.434619 Sn\n0.639240 0.438119 0.934619 Sn\n0.092950 0.123129 0.375766 Sn\n0.407050 0.876871 0.875766 Sn\n0.907050 0.623129 0.124234 Sn\n0.592950 0.376871 0.624234 Sn\n0.147249 0.056602 0.689270 Sn\n0.352751 0.943398 0.189270 Sn\n0.852751 0.556602 0.810730 Sn\n0.647249 0.443398 0.310730 Sn\n0.189732 0.690171 0.374329 Sn\n0.310268 0.309829 0.874329 Sn\n0.810268 0.190171 0.125671 Sn\n0.689732 0.809829 0.625671 Sn\n0.132908 0.344717 0.120181 Sn\n0.367092 0.655283 0.620181 Sn\n0.867092 0.844717 0.379819 Sn\n0.632908 0.155283 0.879819 Sn\n0.339998 0.306987 0.378131 Sn\n0.160002 0.693013 0.878131 Sn\n0.660002 0.806987 0.121869 Sn\n0.839998 0.193013 0.621869 Sn\n0.612169 0.130671 0.378574 Sn\n0.887831 0.869329 0.878574 Sn\n0.387831 0.630671 0.121426 Sn\n0.112169 0.369329 0.621426 Sn\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Li",
"Eu",
"Sn"
],
"chemical_system": "Eu-Li-Sn",
"density": 6.724721358266869,
"density_atomic": 0.03533189713995074,
"volume": 1584.970084628693,
"volume_molar": 17.04448741075554,
"formula_full": "Li8 Eu20 Sn28",
"formula_reduced": "Li2Eu5Sn7",
"formula_anonymous": "A2B5C7",
"energy": -365.91433861,
"energy_per_atom": -6.534184618035715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -365.91433861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 138.7481749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.956000Z",
"spacegroup": 19
},
{
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{
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"created_at": "2022-09-04T14:40:18.420037Z",
"structure_string": "Sr8 Ca24 Mn20 Fe12 O80\n1.0\n0.000726 0.007292 10.957552\n11.143331 0.003800 0.000732\n-5.567095 15.555059 -5.469092\nSr Ca Mn Fe O\n8 24 20 12 80\ndirect\n0.309271 0.560468 0.610258 Sr\n0.808274 0.058836 0.610719 Sr\n0.199742 0.441576 0.892577 Sr\n0.059232 0.298901 0.609357 Sr\n0.058290 0.801681 0.610532 Sr\n0.559364 0.300931 0.610712 Sr\n0.448884 0.199572 0.890447 Sr\n0.946422 0.198281 0.385313 Sr\n0.304694 0.064529 0.108121 Ca\n0.306043 0.059479 0.604091 Ca\n0.306856 0.565961 0.109516 Ca\n0.805267 0.062039 0.105465 Ca\n0.806571 0.563044 0.107659 Ca\n0.807172 0.561356 0.606186 Ca\n0.199132 0.436546 0.390584 Ca\n0.198500 0.935029 0.390912 Ca\n0.200264 0.937877 0.896393 Ca\n0.695099 0.436335 0.391238 Ca\n0.701034 0.438041 0.895615 Ca\n0.698095 0.935260 0.391067 Ca\n0.700665 0.938248 0.893538 Ca\n0.057839 0.295376 0.109299 Ca\n0.056323 0.793337 0.107271 Ca\n0.555874 0.293856 0.108564 Ca\n0.556523 0.794451 0.108436 Ca\n0.558029 0.794610 0.606024 Ca\n0.449818 0.206234 0.390620 Ca\n0.448635 0.705897 0.391927 Ca\n0.451578 0.707874 0.895958 Ca\n0.951448 0.205226 0.895063 Ca\n0.947254 0.704715 0.390009 Ca\n0.948867 0.707555 0.894452 Ca\n0.004951 0.999341 0.498351 Mn\n0.002256 0.499508 0.496252 Mn\n0.256502 0.250933 0.002888 Mn\n0.253380 0.247924 0.495612 Mn\n0.112443 0.093317 0.246953 Mn\n0.113612 0.095080 0.755458 Mn\n0.109693 0.598404 0.249418 Mn\n0.109258 0.602357 0.751399 Mn\n0.606563 0.096277 0.249402 Mn\n0.609915 0.094403 0.749262 Mn\n0.607486 0.597574 0.249288 Mn\n0.616127 0.605414 0.753517 Mn\n0.359214 0.403499 0.248306 Mn\n0.366972 0.404905 0.751858 Mn\n0.358168 0.901008 0.249630 Mn\n0.363566 0.901020 0.750954 Mn\n0.857581 0.406687 0.248139 Mn\n0.860092 0.406443 0.752881 Mn\n0.858663 0.898470 0.246954 Mn\n0.859121 0.898316 0.752439 Mn\n0.007193 0.002564 0.002288 Fe\n0.005957 0.500377 0.001990 Fe\n0.506385 0.000821 0.002548 Fe\n0.502482 0.998399 0.496779 Fe\n0.506932 0.500975 0.002696 Fe\n0.503045 0.497192 0.494901 Fe\n0.256100 0.752465 0.002150 Fe\n0.252988 0.748857 0.497213 Fe\n0.756695 0.250423 0.001637 Fe\n0.753068 0.249511 0.497577 Fe\n0.756122 0.750330 0.000825 Fe\n0.752624 0.747372 0.496390 Fe\n0.127847 0.117767 0.489364 O\n0.125440 0.122637 0.987630 O\n0.119773 0.619091 0.486622 O\n0.123006 0.625383 0.992835 O\n0.621447 0.119221 0.485716 O\n0.628413 0.119783 0.993534 O\n0.623460 0.619852 0.487809 O\n0.624958 0.620392 0.989001 O\n0.137764 0.378680 0.015178 O\n0.132818 0.376981 0.504179 O\n0.136400 0.881588 0.012250 O\n0.131716 0.880344 0.504654 O\n0.637106 0.381218 0.014477 O\n0.637152 0.381896 0.509599 O\n0.634865 0.878454 0.012664 O\n0.629873 0.874026 0.506095 O\n0.370341 0.118325 0.486980 O\n0.372560 0.119138 0.992591 O\n0.373038 0.618218 0.487312 O\n0.378876 0.623628 0.994008 O\n0.874134 0.115912 0.489667 O\n0.874097 0.117796 0.987230 O\n0.871913 0.617242 0.487687 O\n0.873645 0.617610 0.988428 O\n0.385855 0.382812 0.016603 O\n0.380252 0.375254 0.503729 O\n0.385931 0.883204 0.012274 O\n0.382158 0.881603 0.509324 O\n0.885704 0.382019 0.012028 O\n0.880721 0.383429 0.505088 O\n0.887064 0.882935 0.014003 O\n0.881283 0.877238 0.501950 O\n0.085845 0.099404 0.131909 O\n0.077332 0.079514 0.634105 O\n0.079909 0.593452 0.135131 O\n0.069722 0.584231 0.633248 O\n0.579793 0.094087 0.136334 O\n0.577115 0.084942 0.633877 O\n0.579673 0.594781 0.135652 O\n0.576339 0.589022 0.635096 O\n0.448711 0.402002 0.365711 O\n0.446081 0.410808 0.867900 O\n0.441496 0.906059 0.364381 O\n0.450288 0.910900 0.866275 O\n0.942258 0.414072 0.361809 O\n0.944622 0.405215 0.866018 O\n0.944021 0.909998 0.362608 O\n0.944916 0.904055 0.866549 O\n0.326380 0.285150 0.129290 O\n0.325490 0.295316 0.632726 O\n0.329896 0.792637 0.135923 O\n0.322752 0.797652 0.633593 O\n0.832021 0.290909 0.136209 O\n0.824715 0.301016 0.635602 O\n0.828463 0.786258 0.134278 O\n0.823655 0.796010 0.634098 O\n0.192011 0.207795 0.366258 O\n0.196822 0.210147 0.874260 O\n0.192516 0.707372 0.364551 O\n0.196791 0.709953 0.867325 O\n0.689750 0.207012 0.363943 O\n0.690494 0.206577 0.864134 O\n0.693647 0.706426 0.363342 O\n0.699675 0.714694 0.867159 O\n0.427298 0.071666 0.249299 O\n0.429342 0.066287 0.742888 O\n0.429655 0.578478 0.249833 O\n0.442157 0.576967 0.758332 O\n0.925025 0.056452 0.239678 O\n0.931135 0.065897 0.758030 O\n0.923180 0.575952 0.248509 O\n0.927399 0.575673 0.751808 O\n0.172282 0.432920 0.249804 O\n0.189270 0.442079 0.751147 O\n0.180234 0.920339 0.248957 O\n0.191440 0.928763 0.759566 O\n0.677458 0.426625 0.248942 O\n0.685546 0.436788 0.758983 O\n0.676194 0.927503 0.250033 O\n0.675369 0.923185 0.750507 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.1178499941549465,
"density_atomic": 0.07578926195762342,
"volume": 1900.0053078827411,
"volume_molar": 7.945902367234031,
"formula_full": "Sr8 Ca24 Mn20 Fe12 O80",
"formula_reduced": "Sr2Ca6Mn5Fe3O20",
"formula_anonymous": "A2B3C5D6E20",
"energy": -1096.53814765,
"energy_per_atom": -7.614848247569444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -981.14614765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 136.8268028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.665000Z",
"spacegroup": 1
},
{
"id": "mp-1076884",
"created_at": "2022-09-04T14:47:56.004528Z",
"structure_string": "Sr24 Ca8 Fe28 Co4 O80\n1.0\n0.011070 -0.011028 11.064897\n11.461042 0.010745 0.011512\n-5.721535 15.557102 -5.553742\nSr Ca Fe Co O\n24 8 28 4 80\ndirect\n0.306504 0.064275 0.610005 Sr\n0.306151 0.564180 0.610386 Sr\n0.807298 0.064789 0.610414 Sr\n0.807935 0.564445 0.611478 Sr\n0.195258 0.434331 0.388348 Sr\n0.195526 0.437574 0.894005 Sr\n0.195118 0.935130 0.387506 Sr\n0.695327 0.435619 0.387541 Sr\n0.701973 0.437859 0.894008 Sr\n0.695165 0.933764 0.388180 Sr\n0.700621 0.936150 0.895917 Sr\n0.056492 0.290209 0.109635 Sr\n0.058334 0.295583 0.610505 Sr\n0.058144 0.797445 0.611597 Sr\n0.554975 0.295126 0.609198 Sr\n0.558070 0.797773 0.107781 Sr\n0.555792 0.796567 0.610166 Sr\n0.445543 0.202572 0.386112 Sr\n0.449274 0.204911 0.894202 Sr\n0.445346 0.702416 0.386495 Sr\n0.452636 0.711371 0.895850 Sr\n0.943352 0.203369 0.386388 Sr\n0.948793 0.204599 0.894124 Sr\n0.944069 0.702043 0.386581 Sr\n0.301416 0.063543 0.102576 Ca\n0.296577 0.568684 0.104682 Ca\n0.799664 0.060352 0.102450 Ca\n0.805106 0.571642 0.104149 Ca\n0.200858 0.935921 0.898882 Ca\n0.046992 0.789751 0.103919 Ca\n0.552485 0.281802 0.103689 Ca\n0.945811 0.715463 0.897869 Ca\n0.003021 0.998863 0.498033 Fe\n0.003073 0.500312 0.499774 Fe\n0.503238 0.999634 0.498788 Fe\n0.508977 0.503098 0.006372 Fe\n0.504145 0.500275 0.499766 Fe\n0.258220 0.250145 0.004308 Fe\n0.252338 0.248527 0.497764 Fe\n0.254106 0.753211 0.001950 Fe\n0.252211 0.749215 0.498154 Fe\n0.757402 0.252337 0.005939 Fe\n0.754040 0.250357 0.499959 Fe\n0.754272 0.749711 0.500553 Fe\n0.103594 0.084828 0.244844 Fe\n0.110302 0.089442 0.754789 Fe\n0.103577 0.590690 0.245765 Fe\n0.108046 0.597621 0.755284 Fe\n0.602293 0.089473 0.243953 Fe\n0.609632 0.090644 0.752928 Fe\n0.602817 0.583639 0.243052 Fe\n0.610011 0.591526 0.750984 Fe\n0.357148 0.408524 0.245125 Fe\n0.359388 0.412648 0.753400 Fe\n0.350039 0.906791 0.243324 Fe\n0.358377 0.911344 0.756046 Fe\n0.850207 0.406618 0.242999 Fe\n0.859844 0.414259 0.752921 Fe\n0.858300 0.910320 0.247143 Fe\n0.860478 0.906577 0.751629 Fe\n0.008344 0.000057 0.003952 Co\n0.006400 0.504243 0.004133 Co\n0.506755 0.002725 0.002828 Co\n0.757515 0.751639 0.000736 Co\n0.123589 0.122258 0.491490 O\n0.126511 0.114411 0.989314 O\n0.123527 0.621908 0.491606 O\n0.122722 0.626915 0.990755 O\n0.623599 0.121957 0.490718 O\n0.625632 0.123666 0.995278 O\n0.623400 0.621927 0.490661 O\n0.627772 0.619751 0.993097 O\n0.136725 0.382466 0.014248 O\n0.131090 0.377753 0.506884 O\n0.132660 0.882797 0.012108 O\n0.132328 0.877243 0.508199 O\n0.637676 0.380344 0.016332 O\n0.632061 0.377895 0.507422 O\n0.635876 0.887473 0.014403 O\n0.631146 0.877002 0.506348 O\n0.373667 0.119162 0.490888 O\n0.375857 0.117057 0.992375 O\n0.373105 0.619760 0.490974 O\n0.374136 0.618286 0.992635 O\n0.873434 0.119488 0.490841 O\n0.879422 0.113058 0.993025 O\n0.873815 0.619353 0.490759 O\n0.882750 0.620230 0.992417 O\n0.388503 0.383881 0.017666 O\n0.381241 0.379633 0.506412 O\n0.382388 0.888785 0.012239 O\n0.381719 0.879281 0.507195 O\n0.885090 0.383980 0.014598 O\n0.881546 0.379817 0.506315 O\n0.894666 0.887687 0.018167 O\n0.881306 0.879063 0.506421 O\n0.098932 0.101025 0.142748 O\n0.084049 0.093071 0.642574 O\n0.091003 0.605656 0.140402 O\n0.077995 0.595465 0.641118 O\n0.582398 0.096917 0.135009 O\n0.582302 0.095017 0.640772 O\n0.593520 0.601669 0.139483 O\n0.581004 0.594529 0.638388 O\n0.441665 0.406855 0.357813 O\n0.444951 0.403646 0.862508 O\n0.437263 0.906190 0.356699 O\n0.446851 0.911528 0.867331 O\n0.937433 0.407293 0.356382 O\n0.942022 0.399019 0.859724 O\n0.942866 0.907547 0.360043 O\n0.945993 0.889887 0.856727 O\n0.335984 0.282167 0.139768 O\n0.330899 0.296436 0.641168 O\n0.333109 0.784118 0.137778 O\n0.330443 0.795721 0.643640 O\n0.835461 0.279907 0.139388 O\n0.834438 0.299019 0.640353 O\n0.843672 0.784560 0.144809 O\n0.830471 0.794150 0.637785 O\n0.188671 0.200035 0.358365 O\n0.194579 0.209344 0.863690 O\n0.186096 0.703934 0.359055 O\n0.197708 0.716482 0.863247 O\n0.685599 0.204659 0.356404 O\n0.694109 0.206060 0.863749 O\n0.687550 0.698591 0.355840 O\n0.698808 0.707940 0.858479 O\n0.425613 0.056198 0.239099 O\n0.435640 0.059654 0.751778 O\n0.425185 0.559124 0.238537 O\n0.437412 0.563049 0.752770 O\n0.925989 0.060924 0.239972 O\n0.936248 0.059489 0.752101 O\n0.925884 0.556390 0.238615 O\n0.936524 0.571334 0.760327 O\n0.185410 0.442125 0.247978 O\n0.185620 0.445251 0.752862 O\n0.174026 0.928222 0.240656 O\n0.185886 0.938602 0.760194 O\n0.672936 0.427067 0.239126 O\n0.684999 0.438551 0.750253 O\n0.685463 0.942578 0.248513 O\n0.687649 0.940168 0.752358 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.631713597142091,
"density_atomic": 0.07299069737902932,
"volume": 1972.8541467720254,
"volume_molar": 8.250559285285304,
"formula_full": "Sr24 Ca8 Fe28 Co4 O80",
"formula_reduced": "Sr6Ca2Fe7CoO20",
"formula_anonymous": "AB2C6D7E20",
"energy": -1055.17496958,
"energy_per_atom": -7.3276039554166665,
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"formation_energy": null,
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"energy_uncorrected": -930.49496958,
"band_gap": 0.2066000000000003,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.756000Z",
"spacegroup": 1
},
{
"id": "mp-1076418",
"created_at": "2022-09-04T14:48:12.896346Z",
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"updated_at": "2021-11-28T01:38:35.527000Z",
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},
{
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Cr\n0.382762 0.634820 0.093903 Cr\n0.885708 0.633953 0.094092 Cr\n0.275482 0.650596 0.301687 Cr\n0.339994 0.331167 0.487431 Cr\n0.544764 0.308038 0.097943 Cr\n0.516614 0.872020 0.595148 Cr\n0.074377 0.146683 0.199266 Cr\n0.351443 0.194802 0.597837 Cr\n0.952338 0.693056 0.901786 Cr\n0.158911 0.670036 0.512450 Cr\n0.171730 0.170714 0.987926 Cr\n0.841203 0.330174 0.487377 Cr\n0.227944 0.349799 0.698561 Cr\n0.040720 0.712498 0.706491 Cr\n0.922730 0.851967 0.800937 Cr\n0.421467 0.852401 0.801065 Cr\n0.458914 0.287347 0.293224 Cr\n0.115531 0.367022 0.905714 Cr\n0.647975 0.805222 0.402134 Cr\n0.245418 0.214414 0.794490 Cr\n0.723118 0.349944 0.698423 Cr\n0.751949 0.786518 0.205429 Cr\n0.145140 0.806218 0.401942 Cr\n0.483304 0.129916 0.404978 Cr\n0.854022 0.194241 0.597722 Cr\n0.982327 0.129968 0.404713 Cr\n0.252427 0.787178 0.205368 Cr\n0.659362 0.669478 0.512647 Cr\n0.829384 0.830809 0.012235 Cr\n0.670951 0.170617 0.987965 Cr\n0.017819 0.872744 0.595224 Cr\n0.539382 0.713188 0.706579 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{
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"formula_anonymous": "AB3C6",
"energy": -640.16649679,
"energy_per_atom": -8.002081209875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -537.05449679,
"band_gap": 1.1677,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 136.0002697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.659000Z",
"spacegroup": 1
},
{
"id": "mp-1076513",
"created_at": "2022-09-04T14:47:10.558868Z",
"structure_string": "La28 Sm4 Mn28 Cu4 O80\n1.0\n-0.001452 -0.003961 11.348445\n11.733015 -0.012917 -0.001455\n-5.884059 15.868605 -5.678342\nLa Sm Mn Cu O\n28 4 28 4 80\ndirect\n0.292126 0.062070 0.110169 La\n0.298740 0.065429 0.611625 La\n0.298947 0.564947 0.613783 La\n0.799479 0.065743 0.613136 La\n0.803226 0.570428 0.106699 La\n0.800089 0.565556 0.613581 La\n0.186282 0.433479 0.386140 La\n0.181753 0.436218 0.891641 La\n0.185438 0.933492 0.384437 La\n0.184249 0.935291 0.890380 La\n0.685257 0.435273 0.385533 La\n0.685503 0.933447 0.387334 La\n0.687761 0.932494 0.893672 La\n0.046627 0.288402 0.109001 La\n0.049291 0.298994 0.613598 La\n0.048850 0.798130 0.612614 La\n0.549438 0.284100 0.108595 La\n0.548674 0.298303 0.614171 La\n0.550140 0.799372 0.110229 La\n0.549385 0.798011 0.613470 La\n0.435862 0.202099 0.386718 La\n0.439539 0.205648 0.889821 La\n0.434985 0.700097 0.384462 La\n0.444156 0.710912 0.892497 La\n0.934540 0.202163 0.385693 La\n0.936907 0.209712 0.891536 La\n0.934270 0.700544 0.384994 La\n0.931653 0.711303 0.893621 La\n0.286696 0.569900 0.108939 Sm\n0.794322 0.063198 0.108016 Sm\n0.690200 0.435216 0.892787 Sm\n0.042097 0.789249 0.107842 Sm\n0.001338 0.999754 0.499368 Mn\n0.001061 0.499998 0.499409 Mn\n0.500754 0.999370 0.499393 Mn\n0.502276 0.502029 0.002445 Mn\n0.501193 0.499926 0.499668 Mn\n0.252725 0.252417 0.002596 Mn\n0.250737 0.249872 0.499561 Mn\n0.250076 0.750431 0.000206 Mn\n0.251322 0.749597 0.499460 Mn\n0.751535 0.249363 0.000731 Mn\n0.750862 0.250008 0.499680 Mn\n0.750556 0.749384 0.499215 Mn\n0.104009 0.096283 0.249710 Mn\n0.107869 0.101888 0.751844 Mn\n0.108040 0.599145 0.250553 Mn\n0.107734 0.602010 0.752920 Mn\n0.608129 0.098395 0.251766 Mn\n0.608195 0.100921 0.751374 Mn\n0.602645 0.597377 0.243782 Mn\n0.605940 0.596743 0.749654 Mn\n0.355816 0.399988 0.246216 Mn\n0.359447 0.401932 0.753303 Mn\n0.352402 0.895790 0.246614 Mn\n0.356667 0.901202 0.748546 Mn\n0.854746 0.398052 0.246862 Mn\n0.854321 0.402048 0.749158 Mn\n0.859165 0.903190 0.250414 Mn\n0.855782 0.900968 0.749543 Mn\n0.997405 0.998980 0.001273 Cu\n0.998462 0.500213 0.000977 Cu\n0.496882 0.000520 0.999959 Cu\n0.748358 0.751054 0.001497 Cu\n0.111844 0.116702 0.475655 O\n0.112999 0.120797 0.981966 O\n0.110792 0.616526 0.474737 O\n0.114470 0.619486 0.985582 O\n0.610592 0.116000 0.474326 O\n0.612798 0.120298 0.983430 O\n0.610611 0.616324 0.474163 O\n0.615723 0.614199 0.976057 O\n0.134414 0.384871 0.021784 O\n0.135902 0.383401 0.524484 O\n0.129561 0.879568 0.023847 O\n0.136414 0.883483 0.525168 O\n0.633382 0.380374 0.019428 O\n0.635290 0.382768 0.524244 O\n0.633228 0.884365 0.020694 O\n0.635956 0.883139 0.523055 O\n0.361717 0.108677 0.476490 O\n0.365262 0.112644 0.978940 O\n0.360915 0.607217 0.473616 O\n0.363904 0.610445 0.978751 O\n0.861400 0.108233 0.474911 O\n0.864329 0.110432 0.981588 O\n0.861482 0.608610 0.474507 O\n0.860869 0.606861 0.981185 O\n0.384144 0.395767 0.025314 O\n0.385939 0.390607 0.523756 O\n0.384546 0.890575 0.020971 O\n0.387326 0.891596 0.525544 O\n0.882193 0.387466 0.015973 O\n0.886713 0.391917 0.524710 O\n0.882209 0.891286 0.024122 O\n0.884843 0.890443 0.522358 O\n0.123336 0.133385 0.153244 O\n0.101676 0.120060 0.640673 O\n0.122052 0.633847 0.151563 O\n0.101785 0.619902 0.641148 O\n0.628693 0.127179 0.152716 O\n0.602427 0.119760 0.640291 O\n0.614649 0.624565 0.140105 O\n0.601293 0.617104 0.639165 O\n0.460739 0.380344 0.357671 O\n0.473290 0.380005 0.859379 O\n0.457803 0.880007 0.358774 O\n0.470651 0.870381 0.848922 O\n0.960596 0.380233 0.358700 O\n0.967837 0.369492 0.849095 O\n0.963611 0.881629 0.360569 O\n0.970632 0.870473 0.850137 O\n0.358458 0.267723 0.140387 O\n0.353096 0.272771 0.641097 O\n0.359287 0.769950 0.139148 O\n0.351265 0.769680 0.638277 O\n0.854044 0.268328 0.138533 O\n0.849186 0.271302 0.638440 O\n0.877052 0.772149 0.151729 O\n0.850118 0.771050 0.637949 O\n0.210592 0.226520 0.361012 O\n0.217034 0.229397 0.861234 O\n0.213037 0.730346 0.361502 O\n0.217819 0.728951 0.861565 O\n0.712681 0.230360 0.361628 O\n0.712734 0.229393 0.861171 O\n0.708094 0.726140 0.357270 O\n0.717836 0.728838 0.850879 O\n0.423058 0.066646 0.250640 O\n0.421242 0.071496 0.749457 O\n0.415408 0.570436 0.243500 O\n0.421296 0.569511 0.750144 O\n0.916559 0.071500 0.245537 O\n0.921687 0.070426 0.749965 O\n0.922973 0.567610 0.249298 O\n0.921149 0.570405 0.750625 O\n0.172331 0.429920 0.250021 O\n0.172637 0.430856 0.750773 O\n0.166052 0.925233 0.244582 O\n0.172381 0.931250 0.750044 O\n0.670059 0.430532 0.248727 O\n0.671173 0.428631 0.755790 O\n0.674147 0.929485 0.251342 O\n0.671747 0.931653 0.749793 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-La-Mn-O-Sm",
"density": 5.947045409544889,
"density_atomic": 0.06818822487398848,
"volume": 2111.8015649492463,
"volume_molar": 8.83164325091156,
"formula_full": "La28 Sm4 Mn28 Cu4 O80",
"formula_reduced": "La7SmMn7CuO20",
"formula_anonymous": "ABC7D7E20",
"energy": -1241.3040629,
"energy_per_atom": -8.620167103472221,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1139.6400629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 136.0002113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.833000Z",
"spacegroup": 1
}
]
}