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{
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"results": [
{
"id": "mp-772615",
"created_at": "2022-09-04T14:44:25.240415Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.675532 0.000000 0.000000\n0.000000 8.640531 0.000000\n0.000000 0.420365 9.977736\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.999168 0.248113 0.625945 Na\n0.499168 0.751887 0.374055 Na\n0.260854 0.086765 0.873647 Li\n0.243695 0.086590 0.371164 Li\n0.474477 0.269114 0.613713 Li\n0.024924 0.266070 0.117843 Li\n0.473886 0.265590 0.117173 Li\n0.524924 0.733930 0.882157 Li\n0.973886 0.734410 0.882827 Li\n0.974477 0.730886 0.386287 Li\n0.743695 0.913410 0.628836 Li\n0.760854 0.913235 0.126353 Li\n0.749539 0.350460 0.890348 Mn\n0.744678 0.354473 0.385280 Mn\n0.244678 0.645527 0.614720 Mn\n0.249539 0.649540 0.109652 Mn\n0.255320 0.407838 0.857086 P\n0.243837 0.405895 0.352895 P\n0.743837 0.594105 0.647105 P\n0.755320 0.592162 0.142914 P\n0.749105 0.038633 0.865413 C\n0.759014 0.043765 0.360963 C\n0.259014 0.956235 0.639037 C\n0.249105 0.961367 0.134587 C\n0.282146 0.099390 0.671394 O\n0.247470 0.107164 0.163368 O\n0.752209 0.081314 0.987880 O\n0.754384 0.081478 0.485205 O\n0.747395 0.142704 0.767101 O\n0.739342 0.149645 0.264831 O\n0.067769 0.311943 0.902416 O\n0.434485 0.311424 0.915034 O\n0.061300 0.303943 0.394983 O\n0.428469 0.313686 0.407726 O\n0.267666 0.418081 0.700882 O\n0.732468 0.427680 0.594428 O\n0.253963 0.420083 0.195938 O\n0.752434 0.422872 0.095651 O\n0.252434 0.577128 0.904349 O\n0.753963 0.579917 0.804062 O\n0.232468 0.572320 0.405572 O\n0.767666 0.581919 0.299118 O\n0.561300 0.696057 0.605017 O\n0.928469 0.686314 0.592274 O\n0.567769 0.688057 0.097584 O\n0.934485 0.688576 0.084966 O\n0.239342 0.850355 0.735169 O\n0.247395 0.857296 0.232899 O\n0.254384 0.918522 0.514795 O\n0.252209 0.918686 0.012120 O\n0.747470 0.892836 0.836632 O\n0.782146 0.900610 0.328606 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.755641319627998,
"density_atomic": 0.09035350825911825,
"volume": 575.5172212115216,
"volume_molar": 6.665087915268925,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.38700827,
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"energy_uncorrected": -354.47900827,
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"updated_at": "2021-11-28T01:36:40.128000Z",
"spacegroup": 4
},
{
"id": "mp-764273",
"created_at": "2022-09-04T14:40:41.041506Z",
"structure_string": "Na4 Li2 Mn2 P2 C2 O14\n1.0\n0.261105 0.000002 5.287168\n0.000050 6.882631 0.000000\n-8.847846 -0.000064 -0.225307\nNa Li Mn P C O\n4 2 2 2 2 14\ndirect\n0.285672 0.996424 0.747103 Na\n0.285680 0.503582 0.747101 Na\n0.714327 0.496385 0.252846 Na\n0.714337 0.003608 0.252850 Na\n0.878323 0.250006 0.876493 Li\n0.121662 0.749996 0.123485 Li\n0.203303 0.249996 0.358167 Mn\n0.796884 0.750000 0.641936 Mn\n0.717383 0.249998 0.590975 P\n0.282675 0.749997 0.409039 P\n0.761902 0.750004 0.943168 C\n0.237996 0.249998 0.056822 C\n0.267787 0.250011 0.913084 O\n0.732168 0.749994 0.086908 O\n0.992725 0.750001 0.898559 O\n0.007131 0.249998 0.101402 O\n0.570346 0.750011 0.842858 O\n0.429521 0.249995 0.157154 O\n0.172394 0.749998 0.566693 O\n0.827584 0.250001 0.433307 O\n0.421909 0.249995 0.568016 O\n0.578134 0.749997 0.432056 O\n0.807137 0.070282 0.688474 O\n0.807125 0.429725 0.688473 O\n0.192943 0.570258 0.311522 O\n0.192946 0.929732 0.311524 O\n",
"nsites": 26,
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"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7145633937549367,
"density_atomic": 0.08085459239840201,
"volume": 321.56491336803595,
"volume_molar": 7.448112199151994,
"formula_full": "Na4 Li2 Mn2 P2 C2 O14",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -187.7740627,
"energy_per_atom": -7.222079334615385,
"energy_above_hull": null,
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"energy_uncorrected": -174.8200627,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.731000Z",
"spacegroup": 11
},
{
"id": "mp-772235",
"created_at": "2022-09-04T14:40:44.054528Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.761775 0.000000 0.000000\n0.000000 8.981974 0.000000\n0.000000 0.007605 10.387449\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.250456 0.082528 0.628837 Na\n0.254134 0.083845 0.130141 Na\n0.001113 0.256117 0.374474 Na\n0.000790 0.258657 0.873560 Na\n0.499878 0.258201 0.873087 Na\n0.501113 0.743883 0.625526 Na\n0.500790 0.741343 0.126440 Na\n0.999878 0.741799 0.126913 Na\n0.750456 0.917472 0.371163 Na\n0.754134 0.916155 0.869859 Na\n0.482200 0.274250 0.365392 Li\n0.982200 0.725750 0.634608 Li\n0.747547 0.360183 0.635662 Mn\n0.747404 0.362525 0.142841 Mn\n0.247547 0.639817 0.364338 Mn\n0.247404 0.637475 0.857159 Mn\n0.248405 0.413115 0.598004 P\n0.249476 0.412585 0.104190 P\n0.748405 0.586885 0.401996 P\n0.749476 0.587415 0.895810 P\n0.757335 0.054920 0.617368 C\n0.749304 0.060578 0.118060 C\n0.257335 0.945080 0.382632 C\n0.249304 0.939422 0.881940 C\n0.274495 0.088972 0.392354 O\n0.249738 0.083079 0.892991 O\n0.749931 0.118253 0.730421 O\n0.750670 0.122782 0.231225 O\n0.746469 0.138462 0.515006 O\n0.747341 0.144877 0.015550 O\n0.064723 0.317853 0.635152 O\n0.432312 0.328952 0.650090 O\n0.063661 0.321066 0.143747 O\n0.431662 0.319589 0.149570 O\n0.264928 0.422786 0.447675 O\n0.731818 0.425580 0.347472 O\n0.253179 0.429298 0.954282 O\n0.751028 0.430041 0.835424 O\n0.231818 0.574420 0.652528 O\n0.764928 0.577214 0.552325 O\n0.251028 0.569959 0.164576 O\n0.753179 0.570702 0.045718 O\n0.564723 0.682147 0.364848 O\n0.932312 0.671048 0.349910 O\n0.563661 0.678934 0.856253 O\n0.931662 0.680411 0.850430 O\n0.246469 0.861538 0.484994 O\n0.247341 0.855123 0.984450 O\n0.249931 0.881747 0.269579 O\n0.250670 0.877218 0.768775 O\n0.774495 0.911028 0.607646 O\n0.749738 0.916921 0.107009 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.851791227129121,
"density_atomic": 0.08242556450170961,
"volume": 630.8722338070424,
"volume_molar": 7.306156526080077,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.98911022,
"energy_per_atom": -7.192098273461538,
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"energy_uncorrected": -348.08111022,
"band_gap": 3.0513000000000003,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.119000Z",
"spacegroup": 4
},
{
"id": "mp-754568",
"created_at": "2022-09-04T14:41:31.334939Z",
"structure_string": "Na5 Li1 Mn2 P2 C2 O14\n1.0\n8.987375 -0.000582 0.129369\n-0.000449 6.855514 0.000294\n0.059522 0.000219 5.194387\nNa Li Mn P C O\n5 1 2 2 2 14\ndirect\n0.253739 0.003978 0.253372 Na\n0.253737 0.495986 0.253396 Na\n0.741457 0.502450 0.740725 Na\n0.741449 0.997554 0.740779 Na\n0.913264 0.749999 0.233756 Na\n0.107167 0.249989 0.765962 Li\n0.356554 0.749735 0.776751 Mn\n0.633034 0.250316 0.219065 Mn\n0.406386 0.249961 0.711276 P\n0.585502 0.750061 0.282575 P\n0.059157 0.749962 0.728744 C\n0.951267 0.250012 0.281198 C\n0.082244 0.249972 0.381558 O\n0.116368 0.749924 0.956393 O\n0.148838 0.749949 0.527011 O\n0.311507 0.069745 0.796128 O\n0.311543 0.430170 0.796075 O\n0.426041 0.250061 0.411606 O\n0.427870 0.749930 0.167933 O\n0.564126 0.250078 0.827915 O\n0.567482 0.749949 0.583361 O\n0.677590 0.567420 0.196919 O\n0.677603 0.932729 0.196875 O\n0.833971 0.250052 0.436261 O\n0.935714 0.250023 0.032957 O\n0.916390 0.749994 0.701412 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
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"P",
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"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.811212025183829,
"density_atomic": 0.08125270037492824,
"volume": 319.989365030663,
"volume_molar": 7.411619222760287,
"formula_full": "Na5 Li1 Mn2 P2 C2 O14",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -187.10740055,
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"updated_at": "2021-11-28T01:35:20.409000Z",
"spacegroup": 6
},
{
"id": "mp-772555",
"created_at": "2022-09-04T14:40:55.535603Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.787145 0.000000 0.000000\n0.000000 8.885582 0.000000\n0.000000 0.093158 10.262464\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.501352 0.083558 0.879343 Na\n0.498648 0.083558 0.379343 Na\n0.248934 0.255451 0.624818 Na\n0.751066 0.255451 0.124818 Na\n0.751437 0.743654 0.876425 Na\n0.248253 0.743242 0.875993 Na\n0.751747 0.743242 0.375993 Na\n0.248563 0.743654 0.376425 Na\n0.733580 0.270437 0.617748 Li\n0.266420 0.270437 0.117748 Li\n0.992599 0.914449 0.626433 Li\n0.007401 0.914449 0.126433 Li\n0.001703 0.359978 0.889122 Mn\n0.998297 0.359978 0.389122 Mn\n0.499079 0.639728 0.612002 Mn\n0.500921 0.639728 0.112002 Mn\n0.504598 0.408938 0.853389 P\n0.495402 0.408938 0.353389 P\n0.995079 0.590710 0.649115 P\n0.004921 0.590710 0.149115 P\n0.999015 0.053156 0.865098 C\n0.000985 0.053156 0.365098 C\n0.508334 0.944839 0.631614 C\n0.491666 0.944839 0.131614 C\n0.525123 0.090486 0.640648 O\n0.474877 0.090486 0.140648 O\n0.999024 0.092511 0.986860 O\n0.000976 0.092511 0.486860 O\n0.998351 0.154639 0.772346 O\n0.001649 0.154639 0.272346 O\n0.319528 0.316799 0.895524 O\n0.686927 0.318104 0.899936 O\n0.313073 0.318104 0.399936 O\n0.680472 0.316799 0.395524 O\n0.511990 0.422687 0.700804 O\n0.981689 0.430179 0.589267 O\n0.488010 0.422687 0.200804 O\n0.018311 0.430179 0.089267 O\n0.499783 0.569701 0.910763 O\n0.998804 0.571508 0.800238 O\n0.500217 0.569701 0.410763 O\n0.001196 0.571508 0.300238 O\n0.816915 0.691955 0.609559 O\n0.181735 0.679809 0.605971 O\n0.818265 0.679809 0.105971 O\n0.183085 0.691955 0.109559 O\n0.498874 0.860856 0.736136 O\n0.501126 0.860856 0.236136 O\n0.499724 0.880626 0.518582 O\n0.500276 0.880626 0.018582 O\n0.000030 0.912000 0.832270 O\n0.999970 0.912000 0.332270 O\n",
"nsites": 52,
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"elements": [
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],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8208109871153977,
"density_atomic": 0.08401922869838108,
"volume": 618.9059433843858,
"volume_molar": 7.167574438964158,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.3467829,
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"updated_at": "2021-11-28T01:34:57.499000Z",
"spacegroup": 7
},
{
"id": "mp-772313",
"created_at": "2022-09-04T14:41:10.531870Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.652213 0.000000 0.000000\n0.017203 8.718719 0.000000\n0.008307 0.175282 10.078820\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.745867 0.084159 0.877931 Na\n0.747905 0.084277 0.378604 Na\n0.002961 0.251580 0.124445 Na\n0.499579 0.748454 0.376342 Na\n0.979535 0.265075 0.616904 Li\n0.522155 0.266928 0.613884 Li\n0.518029 0.268049 0.115305 Li\n0.482151 0.736475 0.882055 Li\n0.019711 0.734690 0.885620 Li\n0.015917 0.733846 0.384437 Li\n0.245877 0.917806 0.628005 Li\n0.250881 0.912663 0.123413 Li\n0.252807 0.357822 0.884346 Mn\n0.252286 0.359809 0.391735 Mn\n0.753420 0.644641 0.615896 Mn\n0.751525 0.641968 0.108919 Mn\n0.749919 0.412513 0.849479 P\n0.751697 0.412768 0.355525 P\n0.250196 0.593391 0.651247 P\n0.250578 0.592942 0.145412 P\n0.250184 0.041461 0.865799 C\n0.243009 0.046028 0.365866 C\n0.750859 0.950471 0.633394 C\n0.742696 0.945822 0.132277 C\n0.751394 0.100198 0.640344 O\n0.723744 0.094350 0.141574 O\n0.247104 0.088400 0.987878 O\n0.250527 0.089820 0.488444 O\n0.252754 0.140814 0.767626 O\n0.258132 0.147708 0.269454 O\n0.938088 0.322928 0.898068 O\n0.566978 0.320625 0.904404 O\n0.937034 0.314346 0.398939 O\n0.566700 0.325910 0.414000 O\n0.746453 0.413428 0.693861 O\n0.247495 0.423402 0.603054 O\n0.734798 0.418182 0.200515 O\n0.267955 0.426274 0.093880 O\n0.747160 0.582180 0.895085 O\n0.245817 0.586465 0.806774 O\n0.768133 0.579106 0.404528 O\n0.234104 0.581861 0.300124 O\n0.437262 0.684466 0.604579 O\n0.069305 0.688631 0.597768 O\n0.433513 0.694286 0.103761 O\n0.066859 0.681855 0.088092 O\n0.753018 0.865323 0.740112 O\n0.755793 0.860001 0.238371 O\n0.748263 0.884759 0.518827 O\n0.749339 0.882227 0.017066 O\n0.250962 0.895914 0.839917 O\n0.221569 0.902902 0.336114 O\n",
"nsites": 52,
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"elements": [
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"Mn",
"P",
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"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.804195347897125,
"density_atomic": 0.08895591416457417,
"volume": 584.5592222659491,
"volume_molar": 6.7698036904647525,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.42125991,
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"updated_at": "2021-11-28T01:35:10.437000Z",
"spacegroup": 1
},
{
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{
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{
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{
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}
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}