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{
"count": 146323,
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"results": [
{
"id": "mp-776365",
"created_at": "2022-09-04T14:44:11.676998Z",
"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",
"nsites": 70,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"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",
"formula_anonymous": "A9B21C40",
"energy": -552.10152782,
"energy_per_atom": -7.887164683142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -489.59352782,
"band_gap": 0.3656999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.730000Z",
"spacegroup": 1
},
{
"id": "mp-761085",
"created_at": "2022-09-04T14:43:35.803200Z",
"structure_string": "Na9 Mn21 O40\n1.0\n4.598240 4.230356 0.000000\n-4.598240 4.230356 0.000000\n0.000000 4.018698 21.081054\nNa Mn O\n9 21 40\ndirect\n0.763178 0.430088 0.801615 Na\n0.364678 0.035495 0.599879 Na\n0.436271 0.563729 0.500000 Na\n0.835164 0.962438 0.700238 Na\n0.037562 0.164836 0.299762 Na\n0.964505 0.635322 0.400121 Na\n0.569912 0.236822 0.198385 Na\n0.634142 0.773603 0.101849 Na\n0.226397 0.365858 0.898151 Na\n0.002741 0.893067 0.850421 Mn\n0.099836 0.498766 0.650080 Mn\n0.299995 0.699047 0.749566 Mn\n0.500237 0.897033 0.849557 Mn\n0.299077 0.199570 0.750337 Mn\n0.600245 0.498486 0.650252 Mn\n0.199958 0.099147 0.450287 Mn\n0.900853 0.800042 0.549713 Mn\n0.501234 0.900164 0.349920 Mn\n0.102967 0.499763 0.150443 Mn\n0.899955 0.298884 0.550193 Mn\n0.701116 0.100045 0.449807 Mn\n0.300953 0.700005 0.250434 Mn\n0.501514 0.399755 0.349748 Mn\n0.800430 0.700923 0.249663 Mn\n0.106933 0.997259 0.149579 Mn\n0.172388 0.827612 0.000000 Mn\n0.694806 0.599137 0.950814 Mn\n0.400863 0.305194 0.049186 Mn\n0.896159 0.304431 0.049057 Mn\n0.695569 0.103841 0.950943 Mn\n0.078543 0.469201 0.742307 O\n0.270298 0.677713 0.841088 O\n0.272362 0.098740 0.843250 O\n0.098896 0.929082 0.756804 O\n0.501512 0.469868 0.743272 O\n0.521139 0.930101 0.757722 O\n0.120373 0.529464 0.558015 O\n0.330465 0.719749 0.657632 O\n0.870912 0.699820 0.643191 O\n0.699006 0.527924 0.557127 O\n0.100864 0.069910 0.543316 O\n0.329169 0.297895 0.657168 O\n0.679610 0.068235 0.542379 O\n0.869937 0.277829 0.642282 O\n0.280251 0.669535 0.342368 O\n0.069899 0.478861 0.242278 O\n0.470536 0.879627 0.441985 O\n0.530132 0.498488 0.256728 O\n0.930090 0.899136 0.456684 O\n0.070918 0.901104 0.243196 O\n0.472076 0.300994 0.442873 O\n0.702105 0.670831 0.342832 O\n0.300180 0.129088 0.356809 O\n0.530799 0.921457 0.257693 O\n0.931765 0.320390 0.457621 O\n0.322287 0.729702 0.158912 O\n0.722171 0.130063 0.357718 O\n0.135822 0.534313 0.055578 O\n0.151522 0.072887 0.054649 O\n0.653970 0.515998 0.043133 O\n0.901260 0.727638 0.156750 O\n0.301679 0.271237 0.142583 O\n0.465687 0.864178 0.944422 O\n0.888556 0.265089 0.141112 O\n0.661929 0.085303 0.042874 O\n0.484002 0.346030 0.956867 O\n0.927113 0.848478 0.945351 O\n0.728763 0.698321 0.857417 O\n0.914697 0.338071 0.957126 O\n0.734911 0.111444 0.858888 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.050557253332117,
"density_atomic": 0.08535071668256457,
"volume": 820.145427253332,
"volume_molar": 7.0557588665570075,
"formula_full": "Na9 Mn21 O40",
"formula_reduced": "Na9Mn21O40",
"formula_anonymous": "A9B21C40",
"energy": -539.18130238,
"energy_per_atom": -7.702590034000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -476.67330238,
"band_gap": 0.2556000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.436000Z",
"spacegroup": 5
},
{
"id": "mp-561325",
"created_at": "2022-09-04T14:45:37.226764Z",
"structure_string": "Na12 Mn16 Te8 O48\n1.0\n9.354161 0.000000 0.000000\n0.000000 9.616332 0.000000\n0.000000 0.000000 11.211810\nNa Mn Te O\n12 16 8 48\ndirect\n0.082517 0.752125 0.646008 Na\n0.582517 0.247875 0.353992 Na\n0.250000 0.238000 0.345017 Na\n0.417483 0.752125 0.646008 Na\n0.750000 0.262000 0.845017 Na\n0.917483 0.747875 0.146008 Na\n0.417483 0.252125 0.853992 Na\n0.082517 0.252125 0.853992 Na\n0.250000 0.738000 0.154983 Na\n0.582517 0.747875 0.146008 Na\n0.750000 0.762000 0.654983 Na\n0.917483 0.247875 0.353992 Na\n0.913315 0.570070 0.387593 Mn\n0.913315 0.070070 0.112407 Mn\n0.083103 0.415968 0.107838 Mn\n0.413315 0.429930 0.612407 Mn\n0.583103 0.084032 0.607838 Mn\n0.586685 0.070070 0.112407 Mn\n0.916897 0.084032 0.607838 Mn\n0.086685 0.429930 0.612407 Mn\n0.583103 0.584032 0.892162 Mn\n0.413315 0.929930 0.887593 Mn\n0.083103 0.915968 0.392162 Mn\n0.916897 0.584032 0.892162 Mn\n0.086685 0.929930 0.887593 Mn\n0.416897 0.915968 0.392162 Mn\n0.586685 0.570070 0.387593 Mn\n0.416897 0.415968 0.107838 Mn\n0.750000 0.442878 0.615901 Te\n0.250000 0.583676 0.896679 Te\n0.750000 0.916324 0.396679 Te\n0.250000 0.057122 0.115901 Te\n0.750000 0.942878 0.884099 Te\n0.250000 0.083676 0.603321 Te\n0.750000 0.416324 0.103321 Te\n0.250000 0.557122 0.384099 Te\n0.093001 0.626075 0.008014 O\n0.250000 0.897184 0.526925 O\n0.750000 0.013235 0.716363 O\n0.096580 0.423810 0.417027 O\n0.596580 0.076190 0.917027 O\n0.406999 0.126075 0.491986 O\n0.903420 0.576190 0.582973 O\n0.906999 0.373925 0.991986 O\n0.750000 0.411987 0.442585 O\n0.750000 0.513235 0.783637 O\n0.904182 0.473230 0.212012 O\n0.404182 0.526770 0.787988 O\n0.250000 0.986765 0.283637 O\n0.404182 0.026770 0.712012 O\n0.750000 0.225502 0.166293 O\n0.593001 0.873925 0.508014 O\n0.903420 0.076190 0.917027 O\n0.595818 0.973230 0.287988 O\n0.250000 0.588013 0.557415 O\n0.601232 0.305709 0.656084 O\n0.398768 0.194291 0.156084 O\n0.406999 0.626075 0.008014 O\n0.250000 0.397184 0.973075 O\n0.906999 0.873925 0.508014 O\n0.095818 0.526770 0.787988 O\n0.250000 0.274498 0.666293 O\n0.403420 0.423810 0.417027 O\n0.398768 0.694291 0.343916 O\n0.595818 0.473230 0.212012 O\n0.596580 0.576190 0.582973 O\n0.095818 0.026770 0.712012 O\n0.250000 0.486765 0.216363 O\n0.904182 0.973230 0.287988 O\n0.096580 0.923810 0.082973 O\n0.750000 0.725502 0.333707 O\n0.750000 0.602816 0.026925 O\n0.898768 0.805709 0.843916 O\n0.093001 0.126075 0.491986 O\n0.101232 0.194291 0.156084 O\n0.403420 0.923810 0.082973 O\n0.250000 0.774498 0.833707 O\n0.750000 0.911987 0.057415 O\n0.250000 0.088013 0.942585 O\n0.101232 0.694291 0.343916 O\n0.750000 0.102816 0.473075 O\n0.898768 0.305709 0.656084 O\n0.601232 0.805709 0.843916 O\n0.593001 0.373925 0.991986 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Na",
"Mn",
"Te",
"O"
],
"chemical_system": "Mn-Na-O-Te",
"density": 4.846701855523695,
"density_atomic": 0.08328931059633611,
"volume": 1008.5327804801778,
"volume_molar": 7.23038852991168,
"formula_full": "Na12 Mn16 Te8 O48",
"formula_reduced": "Na3Mn4(TeO6)2",
"formula_anonymous": "A2B3C4D12",
"energy": -585.91212747,
"energy_per_atom": -6.9751443746428565,
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"updated_at": "2021-11-28T01:37:06.711000Z",
"spacegroup": 62
},
{
"id": "mp-1245099",
"created_at": "2022-09-04T14:40:21.802952Z",
"structure_string": "Co30 O60\n1.0\n10.737883 0.021944 -0.345025\n0.005129 10.279847 0.457334\n-0.333435 0.469602 10.437931\nCo O\n30 60\ndirect\n0.748479 0.374025 0.954681 Co\n0.540507 0.079983 0.483097 Co\n0.174592 0.509737 0.201363 Co\n0.234804 0.753743 0.003339 Co\n0.619471 0.371120 0.498934 Co\n0.276514 0.255847 0.394501 Co\n0.757337 0.573543 0.746756 Co\n0.923930 0.007688 0.565638 Co\n-0.004567 0.271484 0.180521 Co\n0.983510 0.554462 0.987835 Co\n0.246153 0.256813 0.728306 Co\n0.625859 0.622171 0.335036 Co\n0.914787 0.012013 0.079617 Co\n0.174946 0.229973 0.012033 Co\n0.232380 0.044202 0.571791 Co\n0.082791 0.824926 0.424709 Co\n0.469158 0.501847 0.663758 Co\n0.558398 0.784261 0.068390 Co\n0.470990 0.269000 0.882676 Co\n0.995240 0.334611 0.806496 Co\n0.356741 0.974327 0.891739 Co\n0.624362 0.124859 0.025214 Co\n0.761623 0.852876 0.917823 Co\n0.117834 0.582163 0.752200 Co\n0.693134 0.893495 0.266853 Co\n0.838897 0.618572 0.204572 Co\n0.831154 0.336715 0.381739 Co\n0.041986 0.000012 0.824732 Co\n0.490576 0.200191 0.229284 Co\n0.740939 0.182649 0.715862 Co\n0.198432 0.908252 0.898014 O\n0.391086 0.840759 0.023548 O\n0.879987 0.076653 0.709172 O\n0.824528 0.227151 0.214645 O\n0.782353 0.306233 0.547787 O\n0.765540 0.939612 0.530453 O\n0.518955 0.264126 0.054844 O\n0.080477 0.989508 0.653358 O\n0.642811 0.492642 0.623851 O\n0.091568 0.181542 0.842259 O\n0.731545 0.255478 0.118161 O\n0.379366 0.662850 0.822250 O\n0.192217 0.224374 0.546916 O\n0.547595 0.773338 0.251546 O\n0.597494 0.155327 0.630420 O\n0.650374 0.248635 0.869028 O\n0.365257 0.111285 0.469185 O\n0.503827 0.498113 0.405493 O\n0.223519 0.655101 0.606086 O\n0.126944 0.399901 0.719669 O\n0.579793 0.250202 0.375363 O\n0.792111 0.733416 0.821457 O\n0.751026 0.017534 0.984211 O\n0.224506 0.903109 0.495355 O\n0.098555 0.385818 0.079976 O\n0.106135 0.656499 0.921581 O\n0.118156 0.849198 0.149850 O\n0.304863 0.274395 0.920883 O\n0.216103 0.416916 0.348390 O\n0.762990 0.719180 0.339579 O\n0.052388 0.129267 0.102416 O\n0.989288 0.713692 0.368943 O\n0.473846 0.667854 0.739218 O\n0.418389 0.337046 0.714341 O\n0.005243 0.609769 0.154802 O\n0.585588 0.046494 0.180809 O\n0.568060 0.799044 0.551332 O\n0.853702 0.947130 0.222938 O\n0.278188 0.621202 0.121738 O\n0.424202 0.552277 0.489374 O\n0.489991 0.888800 0.525918 O\n0.857560 0.658887 0.599491 O\n0.177205 0.853960 0.256946 O\n0.843723 0.486629 0.050869 O\n0.193208 0.664157 0.484968 O\n0.591317 0.837703 0.907650 O\n0.726474 0.745212 0.090752 O\n0.309853 0.079487 0.740048 O\n0.655761 0.500318 0.881949 O\n0.314378 0.550244 0.816978 O\n0.941593 0.910237 0.934926 O\n0.962149 0.707635 0.633280 O\n0.326482 0.233089 0.232005 O\n0.737649 0.489612 0.297527 O\n0.492677 0.075907 0.911475 O\n0.698682 -0.001391 0.422428 O\n0.986750 0.329190 0.339018 O\n0.874733 0.271115 0.902576 O\n0.987732 0.978722 0.423150 O\n0.941149 0.505624 0.817185 O\n",
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"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 3.9435411419353223,
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"volume": 1148.6843271066273,
"volume_molar": 7.686154118491104,
"formula_full": "Co30 O60",
"formula_reduced": "CoO2",
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"energy": -541.50913902,
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"updated_at": "2021-11-28T01:34:49.051000Z",
"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:46:00.157885Z",
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{
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{
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{
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{
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{
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"structure_string": "Li15 Mn21 O43\n1.0\n-5.892821 0.000000 0.000000\n-2.785085 -5.194815 0.000000\n-0.398234 -0.389538 29.283188\nLi Mn O\n15 21 43\ndirect\n0.130141 0.119762 0.982832 Li\n0.467132 0.454794 0.819298 Li\n0.159468 0.697702 0.912188 Li\n0.791933 0.788785 0.649496 Li\n0.114079 0.115380 0.483094 Li\n0.191204 0.190032 0.669055 Li\n0.162128 0.180595 0.853678 Li\n0.440891 0.442016 0.321863 Li\n0.507099 0.506992 0.690138 Li\n0.666886 0.666105 0.415610 Li\n0.826521 0.833150 0.146792 Li\n0.845757 0.844164 0.515667 Li\n0.191321 0.185620 0.354569 Li\n0.509252 0.502457 0.185602 Li\n0.837864 0.839213 0.019212 Li\n0.514296 0.518618 0.001281 Mn\n0.658348 0.669834 0.916240 Mn\n0.849653 0.835035 0.836888 Mn\n0.003989 0.999196 0.749992 Mn\n0.687304 0.158073 0.914349 Mn\n0.492043 0.016408 0.746842 Mn\n0.334917 0.333704 0.584619 Mn\n0.022569 0.485387 0.746894 Mn\n0.831105 0.354229 0.581252 Mn\n0.510994 0.513238 0.500392 Mn\n0.354898 0.829703 0.581346 Mn\n0.156479 0.695103 0.413240 Mn\n0.491762 0.017150 0.246756 Mn\n0.838824 0.841911 0.335832 Mn\n0.674078 0.162864 0.415520 Mn\n0.998472 0.996889 0.249748 Mn\n0.163659 0.168509 0.165711 Mn\n0.337907 0.339190 0.082581 Mn\n0.016627 0.491933 0.246911 Mn\n0.836916 0.339661 0.083701 Mn\n0.338445 0.838248 0.084112 Mn\n0.511975 0.483352 0.884008 O\n0.787961 0.356973 0.956431 O\n0.363191 0.786384 0.957517 O\n0.952982 0.543370 0.874617 O\n0.538148 0.975216 0.876028 O\n0.831192 0.824626 0.716956 O\n0.117515 0.679460 0.789802 O\n0.799152 0.850516 0.951093 O\n0.689371 0.108403 0.789518 O\n0.995613 0.994441 0.872185 O\n0.317033 0.862357 0.715970 O\n0.864567 0.313236 0.715999 O\n0.164203 0.163929 0.550399 O\n0.464104 0.016344 0.619818 O\n0.167908 0.163682 0.784479 O\n0.017792 0.463453 0.619543 O\n0.333897 0.335651 0.710118 O\n0.644664 0.212169 0.545794 O\n0.213316 0.644675 0.545580 O\n0.480107 0.489828 0.385142 O\n0.776610 0.333178 0.460227 O\n0.504675 0.502801 0.617808 O\n0.330411 0.780732 0.459163 O\n0.666297 0.666969 0.537597 O\n0.001999 0.547591 0.374611 O\n0.808136 0.809466 0.215684 O\n0.547319 0.999868 0.373765 O\n0.117913 0.683039 0.287847 O\n0.851055 0.839030 0.449230 O\n0.024983 0.994628 0.378132 O\n0.683308 0.119612 0.287787 O\n0.308036 0.875206 0.209872 O\n0.013692 0.023378 0.122229 O\n0.876239 0.306992 0.210111 O\n0.150472 0.205950 0.047292 O\n0.184469 0.183245 0.284799 O\n0.453172 0.022489 0.123839 O\n0.012960 0.459671 0.124635 O\n0.318506 0.321543 0.201497 O\n0.665438 0.213154 0.042138 O\n0.214933 0.659956 0.043232 O\n0.524236 0.467451 0.118516 O\n0.672089 0.660932 0.051113 O\n",
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{
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{
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]
}