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{
"count": 146323,
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"results": [
{
"id": "mp-1199449",
"created_at": "2022-09-04T14:41:17.093062Z",
"structure_string": "Mn36 Pb16 O80\n1.0\n0.000000 -0.000000 -10.185363\n0.000000 -11.558266 0.000000\n-14.238127 0.000000 0.000000\nMn Pb O\n36 16 80\ndirect\n0.665959 0.250000 0.172060 Mn\n0.834041 0.250000 0.672060 Mn\n0.334041 0.750000 0.827940 Mn\n0.165959 0.750000 0.327940 Mn\n0.584109 0.380238 0.674998 Mn\n0.915891 0.119762 0.174998 Mn\n0.415891 0.880238 0.325002 Mn\n0.084109 0.619762 0.825002 Mn\n0.415891 0.619762 0.325002 Mn\n0.084109 0.880238 0.825002 Mn\n0.584109 0.119762 0.674998 Mn\n0.915891 0.380238 0.174998 Mn\n0.579957 0.616655 0.834160 Mn\n0.920043 0.883345 0.334160 Mn\n0.420043 0.116655 0.165840 Mn\n0.079957 0.383345 0.665840 Mn\n0.420043 0.383345 0.165840 Mn\n0.079957 0.116655 0.665840 Mn\n0.579957 0.883345 0.834160 Mn\n0.920043 0.616655 0.334160 Mn\n0.833625 0.750000 0.833455 Mn\n0.666375 0.750000 0.333455 Mn\n0.166375 0.250000 0.166545 Mn\n0.333625 0.250000 0.666545 Mn\n0.673832 0.488954 0.328611 Mn\n0.826168 0.011046 0.828611 Mn\n0.326168 0.988954 0.671389 Mn\n0.173832 0.511046 0.171389 Mn\n0.326168 0.511046 0.671389 Mn\n0.173832 0.988954 0.171389 Mn\n0.673832 0.011046 0.328611 Mn\n0.826168 0.488954 0.828611 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 -0.000000 0.000000 Mn\n0.214715 0.750000 0.559206 Pb\n0.285285 0.750000 0.059206 Pb\n0.785285 0.250000 0.440794 Pb\n0.714715 0.250000 0.940794 Pb\n0.425011 0.250000 0.392897 Pb\n0.074989 0.250000 0.892897 Pb\n0.574989 0.750000 0.607103 Pb\n0.925011 0.750000 0.107103 Pb\n0.143782 0.059895 0.426378 Pb\n0.356218 0.440105 0.926378 Pb\n0.856218 0.559895 0.573622 Pb\n0.643782 0.940105 0.073622 Pb\n0.856218 0.940105 0.573622 Pb\n0.643782 0.559895 0.073622 Pb\n0.143782 0.440105 0.426378 Pb\n0.356218 0.059895 0.926378 Pb\n0.576707 0.626790 0.403444 O\n0.923293 0.873210 0.903444 O\n0.423293 0.126790 0.596556 O\n0.076707 0.373210 0.096556 O\n0.423293 0.373210 0.596556 O\n0.076707 0.126790 0.096556 O\n0.576707 0.873210 0.403444 O\n0.923293 0.626790 0.903444 O\n0.596232 0.381810 0.418586 O\n0.903768 0.118190 0.918586 O\n0.403768 0.881810 0.581414 O\n0.096232 0.618190 0.081414 O\n0.403768 0.618190 0.581414 O\n0.096232 0.881810 0.081414 O\n0.596232 0.118190 0.418586 O\n0.903768 0.381810 0.918586 O\n0.642439 0.498775 0.588991 O\n0.857561 0.001225 0.088991 O\n0.357561 0.998775 0.411009 O\n0.142439 0.501225 0.911009 O\n0.357561 0.501225 0.411009 O\n0.142439 0.998775 0.911009 O\n0.642439 0.001225 0.588991 O\n0.857561 0.498775 0.088991 O\n0.672197 0.750000 0.904148 O\n0.827803 0.750000 0.404148 O\n0.327803 0.250000 0.095852 O\n0.172197 0.250000 0.595852 O\n0.660260 0.499761 0.908799 O\n0.839740 0.000239 0.408799 O\n0.339740 -0.000239 0.091201 O\n0.160260 0.500239 0.591201 O\n0.339740 0.500239 0.091201 O\n0.160260 -0.000239 0.591201 O\n0.660260 0.000239 0.908799 O\n0.839740 0.499761 0.408799 O\n0.826930 0.250000 0.101503 O\n0.673070 0.250000 0.601503 O\n0.173070 0.750000 0.898497 O\n0.326930 0.750000 0.398497 O\n0.919906 0.369842 0.592766 O\n0.580094 0.130158 0.092766 O\n0.080094 0.869842 0.407234 O\n0.419906 0.630158 0.907234 O\n0.080094 0.630158 0.407234 O\n0.419906 0.869842 0.907234 O\n0.919906 0.130158 0.592766 O\n0.580094 0.369842 0.092766 O\n0.496898 0.250000 0.237915 O\n0.003102 0.250000 0.737915 O\n0.503102 0.750000 0.762085 O\n0.996898 0.750000 0.262085 O\n0.501032 0.750000 0.259623 O\n0.998968 0.750000 0.759623 O\n0.498968 0.250000 0.740377 O\n0.001032 0.250000 0.240377 O\n0.745642 0.132045 0.745716 O\n0.754358 0.367955 0.245716 O\n0.254358 0.632045 0.254284 O\n0.245642 0.867955 0.754284 O\n0.254358 0.867955 0.254284 O\n0.245642 0.632045 0.754284 O\n0.745642 0.367955 0.745716 O\n0.754358 0.132045 0.245716 O\n0.507943 0.502767 0.250592 O\n0.992057 0.997233 0.750592 O\n0.492057 0.002767 0.749408 O\n0.007943 0.497233 0.249408 O\n0.492057 0.497233 0.749408 O\n0.007943 0.002767 0.249408 O\n0.507943 0.997233 0.250592 O\n0.992057 0.502767 0.750592 O\n0.753042 0.623552 0.263421 O\n0.746958 0.876448 0.763421 O\n0.246958 0.123552 0.736579 O\n0.253042 0.376448 0.236579 O\n0.246958 0.376448 0.736579 O\n0.253042 0.123552 0.236579 O\n0.753042 0.876448 0.263421 O\n0.746958 0.623552 0.763421 O\n",
"nsites": 132,
"nelements": 3,
"elements": [
"Mn",
"Pb",
"O"
],
"chemical_system": "Mn-O-Pb",
"density": 6.511566675992543,
"density_atomic": 0.07875023749019693,
"volume": 1676.185421236752,
"volume_molar": 7.647139807990617,
"formula_full": "Mn36 Pb16 O80",
"formula_reduced": "Mn9(PbO5)4",
"formula_anonymous": "A4B9C20",
"energy": -1024.4546032,
"energy_per_atom": -7.761019721212122,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -909.4466032,
"band_gap": 0.0358999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 75.999995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.688000Z",
"spacegroup": 62
},
{
"id": "mp-579259",
"created_at": "2022-09-04T14:39:11.143518Z",
"structure_string": "Eu12 Be4 O20\n1.0\n6.576338 0.000000 0.000000\n0.000000 7.201756 0.000000\n0.000000 0.000000 9.524019\nEu Be O\n12 4 20\ndirect\n0.410597 0.750000 0.978470 Eu\n0.918225 0.520496 0.826399 Eu\n0.418225 0.020496 0.673601 Eu\n0.581775 0.979504 0.326399 Eu\n0.081775 0.479504 0.173601 Eu\n0.418225 0.479504 0.673601 Eu\n0.089403 0.750000 0.478470 Eu\n0.918225 0.979504 0.826399 Eu\n0.589403 0.250000 0.021530 Eu\n0.581775 0.520496 0.326399 Eu\n0.910597 0.250000 0.521530 Eu\n0.081775 0.020496 0.173601 Eu\n0.193292 0.250000 0.898286 Be\n0.806708 0.750000 0.101714 Be\n0.306708 0.250000 0.398286 Be\n0.693292 0.750000 0.601714 Be\n0.136462 0.250000 0.724919 O\n0.307584 0.443360 0.929334 O\n0.836685 0.250000 0.277823 O\n0.663315 0.250000 0.777823 O\n0.692416 0.943360 0.070666 O\n0.307584 0.056640 0.929334 O\n0.363538 0.250000 0.224919 O\n0.481692 0.750000 0.510255 O\n0.863538 0.750000 0.275081 O\n0.336685 0.750000 0.222177 O\n0.018308 0.750000 0.010255 O\n0.807584 0.556640 0.570666 O\n0.518308 0.250000 0.489745 O\n0.163315 0.750000 0.722177 O\n0.692416 0.556640 0.070666 O\n0.192416 0.443360 0.429334 O\n0.807584 0.943360 0.570666 O\n0.636462 0.750000 0.775081 O\n0.981692 0.250000 0.989745 O\n0.192416 0.056640 0.429334 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Eu",
"Be",
"O"
],
"chemical_system": "Be-Eu-O",
"density": 8.02387318651927,
"density_atomic": 0.07981044241463346,
"volume": 451.0687938925559,
"volume_molar": 7.545554914623332,
"formula_full": "Eu12 Be4 O20",
"formula_reduced": "Eu3BeO5",
"formula_anonymous": "AB3C5",
"energy": -353.10460277999994,
"energy_per_atom": -9.808461188333332,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -339.36460278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 75.9999981,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.524000Z",
"spacegroup": 62
},
{
"id": "mp-1247663",
"created_at": "2022-09-04T14:46:00.157885Z",
"structure_string": "Ca32 Ti12 Mn20 O88\n1.0\n10.932562 -0.037064 -0.135601\n-0.051009 15.602211 0.035711\n-0.131854 0.025351 10.946598\nCa Ti Mn O\n32 12 20 88\ndirect\n0.979835 0.116206 0.519399 Ca\n0.982014 0.117494 0.019139 Ca\n0.012143 0.625496 0.506493 Ca\n0.004633 0.624592 0.991445 Ca\n0.542191 0.119567 0.487079 Ca\n0.541702 0.122669 0.986474 Ca\n0.524706 0.623847 0.504152 Ca\n0.528242 0.623713 0.001525 Ca\n0.498496 0.390287 0.001200 Ca\n0.496058 0.391966 0.504568 Ca\n0.504948 0.855779 0.992747 Ca\n0.500175 0.854806 0.494714 Ca\n0.966178 0.389621 0.997869 Ca\n0.963141 0.388241 0.507625 Ca\n0.967336 0.866119 0.007435 Ca\n0.968206 0.866759 0.507968 Ca\n0.239023 0.398433 0.260562 Ca\n0.235264 0.399014 0.756113 Ca\n0.233725 0.858725 0.261147 Ca\n0.230883 0.859222 0.758592 Ca\n0.726357 0.388427 0.254831 Ca\n0.729049 0.389127 0.755951 Ca\n0.725159 0.863090 0.243767 Ca\n0.727313 0.861599 0.745210 Ca\n0.223358 0.118483 0.219734 Ca\n0.225851 0.117894 0.721357 Ca\n0.275609 0.627687 0.270950 Ca\n0.267391 0.627278 0.754156 Ca\n0.773694 0.120328 0.253994 Ca\n0.772952 0.122848 0.754082 Ca\n0.757019 0.624293 0.254965 Ca\n0.767993 0.623322 0.756268 Ca\n0.991060 0.989995 0.260191 Ti\n0.989868 0.992485 0.759874 Ti\n0.998492 0.502195 0.254894 Ti\n0.237306 0.989339 0.006075 Ti\n0.236104 0.991981 0.505194 Ti\n0.249541 0.509506 0.010647 Ti\n0.264775 0.240025 0.930373 Ti\n0.262728 0.235257 0.432811 Ti\n0.251759 0.744374 0.009425 Ti\n0.985045 0.256744 0.272977 Ti\n0.989381 0.256899 0.770755 Ti\n0.000107 0.743504 0.251836 Ti\n0.001395 0.502284 0.749742 Mn\n0.502324 0.993098 0.228324 Mn\n0.503326 0.992396 0.728430 Mn\n0.497716 0.502644 0.256399 Mn\n0.496413 0.504009 0.754675 Mn\n0.250879 0.506899 0.506597 Mn\n0.744112 0.996405 0.991995 Mn\n0.744779 0.994920 0.492257 Mn\n0.748012 0.501610 0.004367 Mn\n0.747188 0.502749 0.506441 Mn\n0.250629 0.748896 0.508401 Mn\n0.746332 0.251851 0.008237 Mn\n0.744661 0.251182 0.506203 Mn\n0.751494 0.746426 0.999770 Mn\n0.750737 0.746470 0.501224 Mn\n0.001081 0.748484 0.751402 Mn\n0.510342 0.253103 0.255660 Mn\n0.514184 0.254310 0.754157 Mn\n0.498443 0.745685 0.254455 Mn\n0.498181 0.745244 0.752318 Mn\n0.109567 0.777370 0.109819 O\n0.109563 0.777022 0.606652 O\n0.560001 0.253707 0.088308 O\n0.580362 0.253740 0.586869 O\n0.608032 0.761935 0.113720 O\n0.612155 0.761414 0.610473 O\n0.390948 0.177907 0.357218 O\n0.391164 0.180499 0.853253 O\n0.397382 0.728824 0.404172 O\n0.390360 0.728077 0.908922 O\n0.917067 0.241333 0.420900 O\n0.929939 0.243192 0.920377 O\n0.898602 0.729495 0.390233 O\n0.894202 0.733072 0.895466 O\n0.171275 0.253054 0.290315 O\n0.173809 0.252332 0.786053 O\n0.149739 0.736665 0.356718 O\n0.147002 0.734347 0.860249 O\n0.659218 0.225985 0.351816 O\n0.661880 0.225778 0.854164 O\n0.643734 0.728335 0.356803 O\n0.643610 0.726306 0.860968 O\n0.352191 0.762433 0.154078 O\n0.351473 0.767839 0.650723 O\n0.855565 0.272646 0.162539 O\n0.856709 0.270556 0.660773 O\n0.860509 0.771210 0.144156 O\n0.861785 0.772550 0.643928 O\n0.356312 0.486900 0.147446 O\n0.353640 0.486764 0.648855 O\n0.364011 0.035967 0.108103 O\n0.365678 0.035856 0.608128 O\n0.862131 0.479429 0.143484 O\n0.859895 0.478026 0.645939 O\n0.861430 0.979219 0.148954 O\n0.860472 0.979257 0.647733 O\n0.167733 0.014701 0.352008 O\n0.170407 0.016323 0.855055 O\n0.151214 0.516094 0.354975 O\n0.146920 0.516806 0.859020 O\n0.635728 0.028090 0.346510 O\n0.634241 0.030029 0.845420 O\n0.641899 0.519358 0.360477 O\n0.640002 0.521861 0.862982 O\n0.393410 0.518005 0.403978 O\n0.388245 0.517628 0.903508 O\n0.896012 0.013105 0.396181 O\n0.894286 0.014921 0.895748 O\n0.901094 0.518088 0.389307 O\n0.896395 0.514237 0.889362 O\n0.113469 0.468504 0.105239 O\n0.108628 0.476301 0.603295 O\n0.109179 0.984777 0.108586 O\n0.109618 0.983925 0.609005 O\n0.606287 0.486031 0.121186 O\n0.605372 0.488222 0.620885 O\n0.602164 0.982480 0.082325 O\n0.602602 0.981331 0.582016 O\n0.013283 0.376286 0.293065 O\n0.016410 0.376233 0.784589 O\n0.014622 0.876165 0.294602 O\n0.017515 0.879669 0.797474 O\n0.492300 0.377733 0.286967 O\n0.497150 0.379034 0.783645 O\n0.498097 0.870464 0.281506 O\n0.500712 0.869609 0.781449 O\n0.487511 0.624849 0.215549 O\n0.481868 0.625348 0.715714 O\n0.998590 0.130420 0.231719 O\n0.999748 0.128444 0.730833 O\n0.999513 0.624872 0.210059 O\n0.993626 0.622203 0.717005 O\n0.185222 0.167613 0.028989 O\n0.184053 0.158637 0.526684 O\n0.226698 0.624798 0.048507 O\n0.229828 0.631569 0.540545 O\n0.756723 0.127014 0.041444 O\n0.755370 0.125671 0.538046 O\n0.753403 0.623687 0.041530 O\n0.750761 0.624571 0.540439 O\n0.290488 0.340905 0.491932 O\n0.286203 0.350220 0.977964 O\n0.281290 0.882660 0.474296 O\n0.281790 0.879868 0.976084 O\n0.746300 0.376592 0.470180 O\n0.745176 0.376697 0.970576 O\n0.752003 0.869745 0.458763 O\n0.748854 0.870380 0.960600 O\n",
"nsites": 152,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Ti",
"density": 3.8813204095470413,
"density_atomic": 0.08141946553478661,
"volume": 1866.8754333084848,
"volume_molar": 7.396438579453742,
"formula_full": "Ca32 Ti12 Mn20 O88",
"formula_reduced": "Ca8Ti3Mn5O22",
"formula_anonymous": "A3B5C8D22",
"energy": -1222.26313622,
"energy_per_atom": -8.04120484355263,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1128.44713622,
"band_gap": 0.1391999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 75.9999988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.764000Z",
"spacegroup": 1
},
{
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"structure_string": "Li9 Mn21 O40\n1.0\n6.049451 0.000000 0.000000\n-0.415103 6.036602 0.000000\n-2.697991 -3.014051 20.687567\nLi Mn O\n9 21 40\ndirect\n0.270770 0.030133 0.048535 Li\n0.881591 0.616780 0.252743 Li\n0.926398 0.175027 0.351588 Li\n0.466088 0.231636 0.451853 Li\n0.538912 0.764454 0.550756 Li\n0.661501 0.436564 0.848757 Li\n0.064422 0.837323 0.650199 Li\n0.135797 0.362445 0.749584 Li\n0.735192 0.963328 0.947923 Li\n0.994018 0.499196 0.995506 Mn\n0.093992 0.100832 0.201685 Mn\n0.498715 0.504611 0.998114 Mn\n0.807153 0.801273 0.100529 Mn\n0.802488 0.289989 0.096610 Mn\n0.603357 0.107149 0.200973 Mn\n0.321378 0.584669 0.149633 Mn\n0.205893 0.695024 0.403109 Mn\n0.396163 0.908051 0.304312 Mn\n0.599783 0.599971 0.699622 Mn\n0.300315 0.299279 0.600361 Mn\n0.705647 0.691926 0.400080 Mn\n0.000257 0.000643 0.499893 Mn\n0.393931 0.403663 0.302250 Mn\n0.800130 0.299449 0.600458 Mn\n0.599419 0.099470 0.699796 Mn\n0.001049 0.500320 0.501655 Mn\n0.198717 0.698730 0.897761 Mn\n0.399587 0.898608 0.798957 Mn\n0.900065 0.899521 0.799083 Mn\n0.201080 0.198991 0.898554 Mn\n0.044708 0.038428 0.108718 O\n0.766475 0.714306 0.002899 O\n0.571600 0.063482 0.106642 O\n0.761641 0.268096 0.001225 O\n0.028937 0.529251 0.090015 O\n0.158800 0.164902 0.294977 O\n0.569878 0.559579 0.094049 O\n0.861814 0.864769 0.197486 O\n0.864768 0.312604 0.195450 O\n0.340692 0.892237 0.207531 O\n0.186445 0.642842 0.308036 O\n0.606557 0.168563 0.297952 O\n0.631294 0.638430 0.306450 O\n0.338423 0.342673 0.208427 O\n0.972928 0.908887 0.404318 O\n0.213644 0.266996 0.505710 O\n0.567245 0.512026 0.604801 O\n0.030502 0.534152 0.594829 O\n0.436365 0.928048 0.397685 O\n0.768716 0.268418 0.506437 O\n0.973810 0.465181 0.408535 O\n0.569878 0.066101 0.605882 O\n0.234959 0.732223 0.495746 O\n0.632679 0.686357 0.794063 O\n0.033002 0.087034 0.595235 O\n0.435994 0.479327 0.396757 O\n0.788326 0.733842 0.495164 O\n0.386483 0.332233 0.694805 O\n0.168719 0.665108 0.804137 O\n0.629663 0.132808 0.793265 O\n0.832490 0.331551 0.693931 O\n0.367056 0.867620 0.705080 O\n0.411736 0.466581 0.902811 O\n0.812876 0.867545 0.704427 O\n0.167270 0.111241 0.803676 O\n0.432161 0.929645 0.892375 O\n0.227152 0.732981 0.990996 O\n0.965073 0.467228 0.902601 O\n0.231782 0.288057 0.993174 O\n0.986425 0.932058 0.893456 O\n",
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"elements": [
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],
"chemical_system": "Li-Mn-O",
"density": 4.079837130798504,
"density_atomic": 0.09265740131821314,
"volume": 755.4712198283992,
"volume_molar": 6.499362894193604,
"formula_full": "Li9 Mn21 O40",
"formula_reduced": "Li9Mn21O40",
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"energy": -552.10152782,
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"energy_uncorrected": -489.59352782,
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"updated_at": "2021-11-28T01:36:30.730000Z",
"spacegroup": 1
},
{
"id": "mp-775954",
"created_at": "2022-09-04T14:47:10.030378Z",
"structure_string": "Li10 Mn14 Fe6 O40\n1.0\n4.093556 -4.095095 0.001177\n-4.077456 0.017281 -4.079717\n12.364817 16.468117 -12.440735\nLi Mn Fe O\n10 14 6 40\ndirect\n0.852195 0.678356 0.026836 Li\n0.954272 0.725381 0.173671 Li\n0.654750 0.080276 0.226282 Li\n0.254435 0.878865 0.626208 Li\n0.455566 0.482261 0.427866 Li\n0.744051 0.118217 0.373855 Li\n0.552047 0.525045 0.575363 Li\n0.350713 0.921282 0.775105 Li\n0.048834 0.273957 0.824576 Li\n0.150587 0.324654 0.973275 Li\n0.404486 0.702817 0.101272 Mn\n0.404378 0.202712 0.101608 Mn\n0.198912 0.601285 0.298536 Mn\n0.697508 0.600235 0.298136 Mn\n0.905323 0.202637 0.101402 Mn\n0.197615 0.101100 0.298576 Mn\n0.002654 0.003972 0.501695 Mn\n0.099959 0.796913 0.898799 Mn\n0.499191 0.001016 0.502145 Mn\n0.298234 0.398509 0.699951 Mn\n0.599803 0.799694 0.898526 Mn\n0.799050 0.399735 0.700090 Mn\n0.698302 0.598188 0.799209 Mn\n0.900188 0.199887 0.601015 Mn\n0.097311 0.790940 0.401608 Fe\n0.508162 0.010638 0.998450 Fe\n0.301081 0.401946 0.199831 Fe\n0.000443 0.503119 0.502095 Fe\n0.798742 0.898729 0.700019 Fe\n0.597179 0.297641 0.898480 Fe\n0.234996 0.867216 0.057105 O\n0.693437 0.868452 0.056776 O\n0.003597 0.754516 0.256248 O\n0.210170 0.355281 0.058680 O\n0.119935 0.533433 0.147408 O\n0.565566 0.533006 0.147829 O\n0.365433 0.934638 0.343326 O\n0.119349 0.086639 0.147861 O\n0.482744 0.717505 0.252016 O\n0.694703 0.328258 0.057054 O\n0.037891 0.271343 0.252010 O\n0.481946 0.269812 0.252068 O\n0.293740 0.668002 0.458345 O\n0.196051 0.851796 0.544183 O\n0.600037 0.050093 0.143568 O\n0.393548 0.448667 0.341190 O\n0.908605 0.933569 0.343040 O\n0.905372 0.471997 0.342658 O\n0.717036 0.885566 0.549467 O\n0.162458 0.333242 0.549614 O\n0.832164 0.671247 0.457812 O\n0.084839 0.517423 0.653082 O\n0.293324 0.130133 0.457845 O\n0.084355 0.069261 0.653059 O\n0.512496 0.727393 0.746805 O\n0.804173 0.152640 0.460020 O\n0.716543 0.330308 0.549630 O\n0.602802 0.549306 0.658550 O\n0.402495 0.948916 0.856656 O\n0.310956 0.673412 0.942962 O\n0.513118 0.280126 0.746792 O\n0.961003 0.728725 0.747117 O\n0.638517 0.070707 0.653127 O\n0.883565 0.913081 0.850869 O\n0.436137 0.469199 0.850948 O\n0.880781 0.467511 0.850861 O\n0.994219 0.249423 0.741580 O\n0.794489 0.648369 0.940609 O\n0.304545 0.130461 0.942842 O\n0.772599 0.134319 0.941979 O\n",
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"elements": [
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],
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"volume": 688.3741787804038,
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"formula_full": "Li10 Mn14 Fe6 O40",
"formula_reduced": "Li5Mn7Fe3O20",
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"updated_at": "2021-11-28T01:37:58.858000Z",
"spacegroup": 12
},
{
"id": "mp-530725",
"created_at": "2022-09-04T14:44:30.451246Z",
"structure_string": "Li9 Mn21 O40\n1.0\n-6.480652 6.480652 4.100384\n6.480652 -6.480652 4.100384\n6.480652 6.480652 -4.100384\nLi Mn O\n9 21 40\ndirect\n0.400054 0.199913 0.599967 Li\n0.800087 0.400054 0.200141 Li\n0.199913 0.599946 0.799859 Li\n0.451133 0.350696 0.301138 Li\n0.599946 0.800087 0.400033 Li\n0.850006 0.548867 0.899564 Li\n0.250000 0.750000 0.500000 Li\n0.649304 0.950442 0.100436 Li\n0.049558 0.149994 0.698862 Li\n0.925155 0.775108 0.449950 Mn\n0.722224 0.671918 0.150961 Mn\n0.428737 0.277776 0.949694 Mn\n0.327662 0.974419 0.051186 Mn\n0.125024 0.873032 0.747209 Mn\n0.723524 0.672338 0.646758 Mn\n0.824930 0.474617 0.549918 Mn\n0.724988 0.175070 0.649687 Mn\n0.525383 0.075301 0.350313 Mn\n0.126968 0.874177 0.251992 Mn\n0.224892 0.674842 0.150047 Mn\n0.125823 0.377815 0.252791 Mn\n0.923233 0.276476 0.948814 Mn\n0.000000 0.000000 0.000000 Mn\n0.524794 0.074845 0.849953 Mn\n0.622185 0.874976 0.748008 Mn\n0.520957 0.571263 0.849039 Mn\n0.325158 0.475206 0.550050 Mn\n0.924699 0.275012 0.450082 Mn\n0.025581 0.076767 0.353242 Mn\n0.328082 0.479043 0.050306 Mn\n0.151285 0.006476 0.434463 O\n0.972513 0.917289 0.165822 O\n0.883132 0.648756 0.255629 O\n0.657581 0.523479 0.955330 O\n0.551542 0.206460 0.034157 O\n0.372496 0.116868 0.765624 O\n0.193309 0.027487 0.944776 O\n0.283177 0.848715 0.855191 O\n0.966958 0.900845 0.644669 O\n0.877645 0.632884 0.733815 O\n0.056348 0.721449 0.554317 O\n0.698558 0.542696 0.464858 O\n0.951145 0.406422 0.634098 O\n0.772324 0.317048 0.365902 O\n0.593578 0.227676 0.544723 O\n0.682952 0.048855 0.455277 O\n0.367116 0.100930 0.244761 O\n0.278551 0.832869 0.334899 O\n0.457304 0.922162 0.155862 O\n0.099155 0.743824 0.066114 O\n0.351244 0.606873 0.234376 O\n0.993524 0.427986 0.144809 O\n0.172303 0.517384 0.965843 O\n0.082711 0.248533 0.055224 O\n0.766300 0.301442 0.844138 O\n0.677710 0.033042 0.933886 O\n0.856169 0.122355 0.755239 O\n0.497970 0.943652 0.665101 O\n0.751467 0.806691 0.834178 O\n0.572014 0.716823 0.565537 O\n0.393127 0.627504 0.744371 O\n0.482616 0.448458 0.654918 O\n0.167131 0.502030 0.445683 O\n0.077838 0.233700 0.535142 O\n0.256176 0.322290 0.355331 O\n0.899070 0.143831 0.266185 O\n0.793540 0.827697 0.345082 O\n0.568148 0.702251 0.044670 O\n0.476521 0.431852 0.134103 O\n0.297749 0.342419 0.865897 O\n",
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],
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"formula_full": "Li9 Mn21 O40",
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"energy": -545.54675687,
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"updated_at": "2021-11-28T01:36:43.217000Z",
"spacegroup": 82
},
{
"id": "mp-531643",
"created_at": "2022-09-04T14:45:36.644366Z",
"structure_string": "Ti6 Fe18 O32\n1.0\n4.981412 0.016838 3.426021\n1.086908 7.849673 9.119117\n0.030675 0.013263 15.943534\nTi Fe O\n6 18 32\ndirect\n0.000000 0.625000 0.250000 Ti\n0.513603 0.366928 0.249089 Ti\n0.016090 0.370093 0.747308 Ti\n0.486397 0.883072 0.250911 Ti\n0.983910 0.879907 0.752692 Ti\n0.500000 0.625000 0.750000 Ti\n0.121884 0.027286 0.064562 Fe\n0.000000 0.125000 0.250000 Fe\n0.121189 0.529103 0.064251 Fe\n0.500000 0.125000 0.250000 Fe\n0.122320 0.277910 0.561748 Fe\n0.507714 0.000310 0.497307 Fe\n0.500000 0.625000 0.250000 Fe\n0.500000 0.125000 0.750000 Fe\n0.498981 0.496866 0.502527 Fe\n0.119229 0.779015 0.567275 Fe\n0.878116 0.222714 0.435438 Fe\n0.502261 0.372319 0.748852 Fe\n0.492286 0.249690 0.002693 Fe\n0.878811 0.720897 0.435749 Fe\n0.497739 0.877681 0.751148 Fe\n0.501019 0.753134 0.997473 Fe\n0.880771 0.470985 0.932725 Fe\n0.877680 0.972090 0.938252 Fe\n0.271166 0.050114 0.130813 O\n0.254311 0.299063 0.129978 O\n0.727773 0.051652 0.133709 O\n0.272227 0.198347 0.366291 O\n0.247226 0.558913 0.136580 O\n0.248539 0.446309 0.361174 O\n0.240426 0.795265 0.133901 O\n0.243872 0.043158 0.633343 O\n0.733904 0.317398 0.130391 O\n0.728834 0.199885 0.369187 O\n0.721366 0.555417 0.133201 O\n0.278634 0.694583 0.366799 O\n0.233295 0.318861 0.629465 O\n0.266096 0.932602 0.369609 O\n0.759574 0.454735 0.366099 O\n0.232312 0.201787 0.867525 O\n0.236728 0.548088 0.633898 O\n0.751461 0.803691 0.138826 O\n0.767688 0.048214 0.632475 O\n0.752774 0.691087 0.363420 O\n0.729030 0.312390 0.628307 O\n0.276779 0.446540 0.864976 O\n0.254671 0.805563 0.637714 O\n0.745689 0.950937 0.370022 O\n0.254207 0.691910 0.862804 O\n0.756128 0.206842 0.866657 O\n0.745793 0.558090 0.637196 O\n0.745329 0.444436 0.862286 O\n0.723221 0.803459 0.635024 O\n0.270970 0.937611 0.871693 O\n0.763272 0.701912 0.866102 O\n0.766705 0.931140 0.870535 O\n",
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],
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"formula_full": "Ti6 Fe18 O32",
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"updated_at": "2021-11-28T01:37:11.233000Z",
"spacegroup": 2
}
]
}