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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=12124",
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"results": [
{
"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": [
"Na",
"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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"band_gap": 3.6455,
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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-772558",
"created_at": "2022-09-04T14:47:20.258481Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.719402 0.000000 0.000000\n-0.028004 8.665707 0.000000\n-0.006314 -0.255821 10.127062\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.239552 0.915062 0.376959 Na\n0.998243 0.751630 0.628610 Na\n0.501855 0.748861 0.125105 Na\n0.500383 0.249498 0.374431 Na\n0.254081 0.921493 0.871767 Li\n0.471154 0.726783 0.617293 Li\n0.027616 0.724653 0.111062 Li\n0.524105 0.264760 0.883245 Li\n0.974449 0.264882 0.883067 Li\n0.971770 0.274063 0.389012 Li\n0.743411 0.088084 0.630846 Li\n0.773810 0.090312 0.125256 Li\n0.753389 0.646163 0.886589 Mn\n0.745254 0.639051 0.389891 Mn\n0.243631 0.353455 0.615664 Mn\n0.250539 0.351043 0.106237 Mn\n0.256505 0.592865 0.851631 P\n0.237286 0.583346 0.353717 P\n0.742704 0.405830 0.649304 P\n0.760384 0.406720 0.140972 P\n0.749299 0.962260 0.866751 C\n0.761212 0.956633 0.364218 C\n0.259493 0.050838 0.643824 C\n0.240408 0.041753 0.128248 C\n0.282493 0.903732 0.662649 O\n0.216977 0.895898 0.149137 O\n0.747747 0.920358 0.988431 O\n0.756503 0.920660 0.488487 O\n0.753647 0.859013 0.771057 O\n0.743397 0.848723 0.273239 O\n0.072248 0.690074 0.896197 O\n0.439367 0.686538 0.901826 O\n0.058692 0.681114 0.404519 O\n0.427444 0.672799 0.401003 O\n0.263293 0.580733 0.697200 O\n0.729067 0.573392 0.597388 O\n0.233063 0.574012 0.199224 O\n0.771631 0.574393 0.090116 O\n0.250299 0.424857 0.902732 O\n0.755057 0.418227 0.803818 O\n0.230953 0.416487 0.405519 O\n0.768804 0.417710 0.295293 O\n0.561422 0.304869 0.607757 O\n0.925918 0.315937 0.594324 O\n0.568995 0.318876 0.095648 O\n0.933556 0.303782 0.087046 O\n0.240230 0.144074 0.745573 O\n0.253884 0.139226 0.228243 O\n0.254026 0.106051 0.526196 O\n0.251280 0.092330 0.009003 O\n0.746828 0.107685 0.836037 O\n0.782643 0.098410 0.328643 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7798328773548526,
"density_atomic": 0.0881830771937046,
"volume": 589.6823024873108,
"volume_molar": 6.829134287037469,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.67647629,
"energy_per_atom": -7.282239928653846,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -352.76847629,
"band_gap": 3.5568,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0041697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.347000Z",
"spacegroup": 1
},
{
"id": "mp-772567",
"created_at": "2022-09-04T14:43:21.352641Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.823354 0.000000 0.000000\n-0.052018 8.858879 0.000000\n-0.002448 -0.185706 10.220159\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.250752 0.916161 0.378394 Na\n0.000272 0.744299 0.626009 Na\n0.499337 0.743959 0.625921 Na\n0.000392 0.741856 0.123733 Na\n0.500160 0.741826 0.122991 Na\n0.500646 0.254516 0.874460 Na\n0.502131 0.256886 0.376363 Na\n0.998640 0.255841 0.375606 Na\n0.240961 0.919441 0.875337 Li\n0.979470 0.267666 0.882484 Li\n0.758135 0.090317 0.628144 Li\n0.754195 0.092206 0.122425 Li\n0.749816 0.641232 0.885918 Mn\n0.750561 0.636347 0.389218 Mn\n0.247712 0.356965 0.614778 Mn\n0.246353 0.355823 0.107856 Mn\n0.245610 0.593281 0.851616 P\n0.250362 0.588250 0.353298 P\n0.753578 0.402259 0.649794 P\n0.748956 0.403719 0.142985 P\n0.759037 0.955078 0.867582 C\n0.750313 0.947559 0.365161 C\n0.248182 0.058335 0.641023 C\n0.249375 0.051261 0.127955 C\n0.250981 0.914096 0.661062 O\n0.251490 0.908304 0.149281 O\n0.751874 0.913970 0.988655 O\n0.751459 0.910571 0.487824 O\n0.748776 0.853760 0.773275 O\n0.751325 0.843061 0.273691 O\n0.068237 0.694244 0.891895 O\n0.432742 0.681974 0.895080 O\n0.067577 0.681241 0.395838 O\n0.434252 0.682115 0.395056 O\n0.247962 0.573481 0.699591 O\n0.749182 0.562630 0.590005 O\n0.249137 0.568821 0.200980 O\n0.750348 0.563818 0.083290 O\n0.233001 0.432143 0.910174 O\n0.767365 0.422778 0.802195 O\n0.251242 0.428872 0.413639 O\n0.754306 0.424631 0.294904 O\n0.568027 0.307307 0.614074 O\n0.930162 0.306669 0.601595 O\n0.564841 0.309131 0.103708 O\n0.927218 0.306508 0.096875 O\n0.243535 0.151049 0.740901 O\n0.246118 0.146911 0.227055 O\n0.249881 0.111804 0.523617 O\n0.250014 0.100954 0.009265 O\n0.775672 0.096405 0.836708 O\n0.748333 0.087666 0.330719 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8259489633243717,
"density_atomic": 0.08417226582143557,
"volume": 617.7806845584228,
"volume_molar": 7.154542771576885,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.45374168,
"energy_per_atom": -7.220264263076923,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -349.54574168,
"band_gap": 3.2927,
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"is_magnetic": true,
"total_magnetization": 20.0045427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.090000Z",
"spacegroup": 1
},
{
"id": "mp-770835",
"created_at": "2022-09-04T14:43:22.507470Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n5.105161 0.000000 0.000000\n-0.039487 6.635437 0.000000\n-0.049013 -0.115070 8.813588\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.241146 0.256732 0.082813 Na\n0.753255 0.000791 0.254881 Na\n0.758500 0.747208 0.915663 Na\n0.766479 0.485632 0.268657 Li\n0.233805 0.512721 0.733347 Li\n0.232548 0.988193 0.732933 Li\n0.222011 0.746573 0.361587 Mn\n0.778475 0.249067 0.641131 Mn\n0.301020 0.253950 0.415269 P\n0.703221 0.744852 0.589113 P\n0.263520 0.747701 0.052027 C\n0.733469 0.257092 0.944861 C\n0.713987 0.271151 0.091446 O\n0.036227 0.749096 0.117787 O\n0.473426 0.743889 0.136264 O\n0.217391 0.061681 0.324805 O\n0.187965 0.432411 0.324039 O\n0.606870 0.269318 0.419198 O\n0.799360 0.734340 0.422403 O\n0.202312 0.251843 0.582417 O\n0.395318 0.747932 0.587570 O\n0.802275 0.563969 0.682940 O\n0.809847 0.934528 0.674751 O\n0.524322 0.248386 0.859000 O\n0.963037 0.251016 0.881012 O\n0.280213 0.749934 0.904087 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.834467266346609,
"density_atomic": 0.0870846538393773,
"volume": 298.5600660244401,
"volume_molar": 6.915272088131046,
"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -188.41284084,
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"updated_at": "2021-11-28T01:36:22.566000Z",
"spacegroup": 1
},
{
"id": "mp-1176546",
"created_at": "2022-09-04T14:43:12.356999Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.792468 0.000000 0.000000\n-0.155899 8.877822 0.000000\n-0.033650 -0.155700 10.287597\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.234749 0.918061 0.878773 Na\n0.247144 0.915548 0.379022 Na\n0.501607 0.747377 0.626596 Na\n0.999228 0.743465 0.125543 Na\n0.500449 0.742583 0.124322 Na\n0.501306 0.252938 0.873753 Na\n0.503275 0.255235 0.377582 Na\n0.997172 0.254073 0.375407 Na\n0.036988 0.719320 0.609414 Li\n0.970295 0.275266 0.888323 Li\n0.777875 0.088022 0.630422 Li\n0.755482 0.099686 0.122638 Li\n0.749975 0.640036 0.883340 Mn\n0.754537 0.635479 0.394433 Mn\n0.247497 0.353653 0.616852 Mn\n0.244385 0.358725 0.107051 Mn\n0.238483 0.586698 0.850086 P\n0.251954 0.585693 0.358802 P\n0.758628 0.406503 0.650905 P\n0.747207 0.407723 0.142625 P\n0.759956 0.957593 0.867449 C\n0.750681 0.948269 0.362916 C\n0.239817 0.051116 0.632256 C\n0.248531 0.059822 0.132793 C\n0.223973 0.905907 0.640771 O\n0.254578 0.915321 0.144301 O\n0.753829 0.923732 0.990049 O\n0.748660 0.921065 0.486617 O\n0.747303 0.851983 0.778489 O\n0.758591 0.836943 0.278723 O\n0.065218 0.682469 0.901122 O\n0.431600 0.672030 0.890281 O\n0.073269 0.678719 0.408376 O\n0.439284 0.679515 0.398179 O\n0.227721 0.575914 0.697950 O\n0.769974 0.569960 0.596430 O\n0.242168 0.569853 0.207187 O\n0.747240 0.566474 0.082539 O\n0.230166 0.422878 0.902520 O\n0.772228 0.421053 0.802466 O\n0.252745 0.426372 0.416610 O\n0.757677 0.427362 0.293554 O\n0.564783 0.322038 0.612269 O\n0.927513 0.305014 0.600764 O\n0.560962 0.312297 0.104583 O\n0.922995 0.310128 0.094387 O\n0.249572 0.135815 0.736216 O\n0.242163 0.146774 0.235743 O\n0.246341 0.115535 0.519423 O\n0.247953 0.121027 0.019023 O\n0.778725 0.096567 0.830642 O\n0.745547 0.084373 0.319482 O\n",
"nsites": 52,
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"elements": [
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"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8141721603874315,
"density_atomic": 0.08382148801185732,
"volume": 620.3659853025291,
"volume_molar": 7.184483242707541,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.66167788,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.721000Z",
"spacegroup": 1
},
{
"id": "mp-772484",
"created_at": "2022-09-04T14:43:09.265103Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.723744 0.000000 0.000000\n-0.097612 8.766856 0.000000\n-0.045857 -0.132268 10.165846\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.248531 0.916903 0.878927 Na\n0.246204 0.916752 0.378908 Na\n0.999490 0.746259 0.624957 Na\n0.500553 0.745602 0.124231 Na\n0.501424 0.254531 0.876355 Na\n0.501622 0.254829 0.376121 Na\n0.483341 0.732249 0.618241 Li\n0.016792 0.731909 0.119129 Li\n0.983725 0.267132 0.883040 Li\n0.983571 0.267701 0.383917 Li\n0.753081 0.085647 0.624198 Li\n0.765690 0.085127 0.124175 Li\n0.751001 0.640243 0.888817 Mn\n0.747505 0.640090 0.388811 Mn\n0.244797 0.357210 0.611491 Mn\n0.246466 0.357474 0.111297 Mn\n0.248869 0.587760 0.851292 P\n0.240649 0.587939 0.351505 P\n0.748843 0.405978 0.648746 P\n0.757950 0.406553 0.148672 P\n0.756872 0.953128 0.866007 C\n0.758684 0.953262 0.366319 C\n0.255551 0.054291 0.632828 C\n0.240118 0.054030 0.132651 C\n0.275341 0.907333 0.642050 O\n0.226749 0.906311 0.141693 O\n0.750362 0.905985 0.987368 O\n0.752140 0.905857 0.487580 O\n0.747101 0.854152 0.769032 O\n0.749754 0.854493 0.269241 O\n0.067140 0.684768 0.894993 O\n0.436545 0.675014 0.902530 O\n0.061703 0.683764 0.399685 O\n0.431149 0.676649 0.398544 O\n0.259158 0.579586 0.697389 O\n0.734211 0.571057 0.594495 O\n0.235883 0.579836 0.197539 O\n0.767890 0.572156 0.094642 O\n0.233795 0.422825 0.903560 O\n0.768687 0.419631 0.801835 O\n0.234507 0.422783 0.403852 O\n0.770473 0.419275 0.302152 O\n0.563140 0.306904 0.611724 O\n0.928137 0.315418 0.593092 O\n0.564481 0.319102 0.108412 O\n0.929683 0.305390 0.095821 O\n0.242145 0.139661 0.737683 O\n0.244724 0.139917 0.237753 O\n0.248003 0.118058 0.518148 O\n0.249948 0.117946 0.018303 O\n0.772728 0.096624 0.839883 O\n0.773098 0.096904 0.340368 O\n",
"nsites": 52,
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"elements": [
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"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8244545488882045,
"density_atomic": 0.08677702847209601,
"volume": 599.2369284311354,
"volume_molar": 6.939786791542968,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -376.92473209,
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"spacegroup": 1
},
{
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{
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}