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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=12126",
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"results": [
{
"id": "mp-772419",
"created_at": "2022-09-04T14:48:17.724899Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.632986 0.000000 0.000000\n-0.065817 8.653266 0.000000\n-0.002328 -0.272447 9.983782\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.255121 0.085005 0.621634 Na\n0.997612 0.250806 0.876931 Na\n0.254684 0.077594 0.125310 Li\n0.018606 0.263651 0.379528 Li\n0.479779 0.265244 0.382125 Li\n0.481030 0.266677 0.886763 Li\n0.517187 0.739156 0.116955 Li\n0.982910 0.739500 0.115927 Li\n0.518965 0.734352 0.615386 Li\n0.981355 0.734901 0.615535 Li\n0.749312 0.916581 0.373477 Li\n0.741898 0.913893 0.876382 Li\n0.746370 0.356224 0.115704 Mn\n0.749068 0.358136 0.609615 Mn\n0.250531 0.645821 0.385475 Mn\n0.249369 0.645549 0.890218 Mn\n0.249759 0.405498 0.150698 P\n0.254580 0.415353 0.645546 P\n0.750440 0.593441 0.351817 P\n0.745180 0.595958 0.854610 P\n0.749196 0.041900 0.135206 C\n0.748368 0.041918 0.632832 C\n0.250211 0.951695 0.360357 C\n0.258937 0.953719 0.869957 C\n0.248481 0.101562 0.347474 O\n0.278499 0.100885 0.852413 O\n0.750151 0.088458 0.012746 O\n0.749491 0.088935 0.510856 O\n0.746300 0.141134 0.235020 O\n0.745248 0.142345 0.732324 O\n0.061049 0.312353 0.104409 O\n0.431224 0.309486 0.097281 O\n0.064582 0.322101 0.598391 O\n0.435482 0.323172 0.586561 O\n0.254842 0.413535 0.307648 O\n0.750857 0.422456 0.397488 O\n0.266901 0.418830 0.801773 O\n0.732210 0.427523 0.903995 O\n0.252229 0.575102 0.101911 O\n0.749732 0.587530 0.195067 O\n0.251058 0.585516 0.599915 O\n0.748738 0.587061 0.697634 O\n0.566976 0.687302 0.404675 O\n0.935142 0.687683 0.405028 O\n0.565900 0.697338 0.904290 O\n0.933908 0.685297 0.907957 O\n0.250598 0.862295 0.253469 O\n0.247835 0.858381 0.767186 O\n0.251785 0.890340 0.476762 O\n0.249455 0.901241 0.990589 O\n0.750654 0.894572 0.160385 O\n0.750208 0.894999 0.658767 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7675583593416024,
"density_atomic": 0.09074425082003061,
"volume": 573.0390579027369,
"volume_molar": 6.636388207053984,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.04710994,
"energy_per_atom": -7.308598268076922,
"energy_above_hull": null,
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"energy_uncorrected": -354.13910994,
"band_gap": 3.5457,
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"is_magnetic": true,
"total_magnetization": 20.0042283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.201000Z",
"spacegroup": 1
},
{
"id": "mp-772499",
"created_at": "2022-09-04T14:48:15.509727Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.848434 0.000000 0.000000\n-0.064804 8.829579 0.000000\n-0.004879 -0.192739 10.209580\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.256006 0.083901 0.122827 Na\n0.999759 0.255227 0.374985 Na\n0.000295 0.256449 0.874156 Na\n0.500323 0.255747 0.873819 Na\n0.503168 0.744195 0.123984 Na\n0.996764 0.743710 0.123948 Na\n0.501523 0.743178 0.624766 Na\n0.999198 0.743375 0.623986 Na\n0.254644 0.087792 0.621868 Li\n0.472216 0.272480 0.387088 Li\n0.740754 0.913691 0.374343 Li\n0.749728 0.908545 0.872725 Li\n0.748015 0.360398 0.113054 Mn\n0.746529 0.357107 0.608348 Mn\n0.249516 0.643526 0.387022 Mn\n0.250668 0.640402 0.888225 Mn\n0.254129 0.408626 0.147957 P\n0.248902 0.403662 0.643536 P\n0.745366 0.593254 0.352890 P\n0.750572 0.594394 0.851915 P\n0.749326 0.050974 0.136417 C\n0.749833 0.049821 0.635377 C\n0.259610 0.955338 0.373463 C\n0.250380 0.941159 0.860262 C\n0.276325 0.099152 0.353043 O\n0.248494 0.085682 0.839836 O\n0.749243 0.087184 0.012843 O\n0.751737 0.087863 0.512548 O\n0.746978 0.156375 0.227620 O\n0.745646 0.155216 0.727252 O\n0.067525 0.316059 0.110235 O\n0.432230 0.317165 0.097409 O\n0.065045 0.308402 0.604357 O\n0.426738 0.306166 0.597298 O\n0.267517 0.424029 0.301207 O\n0.732052 0.430565 0.410200 O\n0.254591 0.425116 0.795869 O\n0.751624 0.435183 0.914247 O\n0.249012 0.570899 0.091460 O\n0.747913 0.574921 0.200635 O\n0.250346 0.563725 0.583587 O\n0.749075 0.570505 0.699849 O\n0.569207 0.694483 0.394043 O\n0.931869 0.681913 0.397166 O\n0.570295 0.690745 0.893130 O\n0.932152 0.691696 0.892276 O\n0.249875 0.859742 0.273932 O\n0.251608 0.847070 0.761273 O\n0.251374 0.904542 0.492064 O\n0.251279 0.887518 0.978444 O\n0.751461 0.910993 0.171406 O\n0.751564 0.910136 0.669808 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.827870334073152,
"density_atomic": 0.08422949478469952,
"volume": 617.3609390976179,
"volume_molar": 7.149681682637774,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.49070444,
"energy_per_atom": -7.220975085384615,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -349.58270444,
"band_gap": 3.4518,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.374000Z",
"spacegroup": 1
},
{
"id": "mp-772546",
"created_at": "2022-09-04T14:46:00.987913Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.813055 0.000000 0.000000\n-0.046153 8.979896 0.000000\n-0.026938 -0.026310 10.351717\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.247845 0.917797 0.879490 Na\n0.250293 0.917592 0.380646 Na\n0.000682 0.741954 0.623929 Na\n0.499287 0.741660 0.623725 Na\n0.002015 0.740762 0.124321 Na\n0.498196 0.740611 0.124010 Na\n0.502003 0.258143 0.875039 Na\n0.501489 0.259225 0.377438 Na\n0.998639 0.258815 0.377493 Na\n0.751794 0.084219 0.119709 Na\n0.991987 0.267468 0.877873 Li\n0.752846 0.084765 0.622605 Li\n0.749579 0.637176 0.887850 Mn\n0.750087 0.637478 0.389772 Mn\n0.248896 0.359249 0.612692 Mn\n0.247788 0.360934 0.109132 Mn\n0.245885 0.585627 0.850312 P\n0.249982 0.588267 0.351812 P\n0.753032 0.404591 0.649991 P\n0.749811 0.411417 0.146651 P\n0.755773 0.944785 0.864287 C\n0.750063 0.943977 0.371714 C\n0.248339 0.061135 0.633211 C\n0.249051 0.060942 0.131533 C\n0.250578 0.917152 0.643817 O\n0.250805 0.916946 0.142049 O\n0.750175 0.883501 0.978366 O\n0.750628 0.890206 0.488680 O\n0.749220 0.859453 0.762436 O\n0.750473 0.853793 0.272530 O\n0.065599 0.680786 0.890909 O\n0.432432 0.673819 0.893487 O\n0.066853 0.680515 0.392010 O\n0.434187 0.681015 0.392142 O\n0.248632 0.570226 0.700100 O\n0.750368 0.562478 0.588516 O\n0.249444 0.569716 0.201632 O\n0.749776 0.569412 0.086331 O\n0.236378 0.426345 0.908867 O\n0.761959 0.423504 0.800551 O\n0.250302 0.431684 0.414082 O\n0.752938 0.429152 0.296887 O\n0.568226 0.311193 0.612303 O\n0.932158 0.310657 0.606323 O\n0.564838 0.319746 0.106891 O\n0.931177 0.319400 0.102903 O\n0.245159 0.145252 0.735807 O\n0.248407 0.144706 0.234357 O\n0.249717 0.122773 0.519500 O\n0.247964 0.123079 0.018122 O\n0.767049 0.088478 0.851001 O\n0.749202 0.086423 0.354168 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8407534957080305,
"density_atomic": 0.0821065400112256,
"volume": 633.3234842546108,
"volume_molar": 7.334544555374826,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.84751271,
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"energy_above_hull": null,
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"energy_uncorrected": -347.93951271,
"band_gap": 3.0622000000000003,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:21.502000Z",
"spacegroup": 1
},
{
"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,
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"elements": [
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"O"
],
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"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-772498",
"created_at": "2022-09-04T14:46:17.541613Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.792165 0.000000 0.000000\n0.035216 8.759144 0.000000\n0.005585 0.297216 10.255728\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.744141 0.915795 0.124226 Na\n0.002382 0.748451 0.373058 Na\n0.998949 0.746258 0.873647 Na\n0.500732 0.747222 0.872911 Na\n0.499215 0.249919 0.126219 Na\n0.499386 0.252779 0.626225 Na\n0.759981 0.910514 0.624184 Li\n0.542636 0.716172 0.394163 Li\n0.038669 0.278601 0.109762 Li\n0.024208 0.272535 0.615927 Li\n0.240819 0.094747 0.373604 Li\n0.230373 0.098691 0.872456 Li\n0.254196 0.638603 0.115645 Mn\n0.252333 0.642914 0.609178 Mn\n0.758112 0.348140 0.388106 Mn\n0.755325 0.357145 0.890015 Mn\n0.753536 0.582659 0.148105 P\n0.755774 0.590630 0.641435 P\n0.253182 0.404715 0.357852 P\n0.247560 0.406690 0.857201 P\n0.237392 0.957283 0.134934 C\n0.236506 0.957761 0.635128 C\n0.735323 0.038148 0.373920 C\n0.753183 0.061231 0.851625 C\n0.714718 0.894313 0.351614 O\n0.749442 0.917908 0.822676 O\n0.244461 0.928624 0.011087 O\n0.236220 0.927208 0.512538 O\n0.252330 0.846161 0.221776 O\n0.254448 0.846662 0.722967 O\n0.935321 0.682159 0.110557 O\n0.569750 0.668541 0.093480 O\n0.934153 0.693378 0.601914 O\n0.570391 0.681286 0.592427 O\n0.737295 0.569165 0.300345 O\n0.269778 0.569621 0.410377 O\n0.748170 0.572563 0.793200 O\n0.249941 0.567958 0.916005 O\n0.771934 0.417851 0.095161 O\n0.228137 0.419755 0.206310 O\n0.767186 0.428842 0.583967 O\n0.222761 0.426571 0.705948 O\n0.437371 0.304946 0.390383 O\n0.076492 0.313425 0.417108 O\n0.436873 0.312692 0.888342 O\n0.076327 0.307191 0.914264 O\n0.750750 0.136072 0.275388 O\n0.768398 0.164826 0.758328 O\n0.744037 0.087041 0.492145 O\n0.742357 0.104515 0.971382 O\n0.216960 0.096185 0.175273 O\n0.220091 0.096938 0.675512 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": 2.7739381400489855,
"density_atomic": 0.08522498938905448,
"volume": 610.149679956175,
"volume_molar": 7.06616780262507,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -377.31558938,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.442000Z",
"spacegroup": 1
},
{
"id": "mp-772651",
"created_at": "2022-09-04T14:39:21.051975Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.703279 0.000000 0.000000\n-0.053026 8.688685 0.000000\n-0.009877 -0.207352 10.081179\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.252381 0.916129 0.878087 Na\n0.998590 0.748659 0.624470 Na\n0.501592 0.748316 0.126654 Na\n0.499474 0.252066 0.375912 Na\n0.239839 0.918380 0.376570 Li\n0.481110 0.732740 0.614500 Li\n0.016335 0.732334 0.120959 Li\n0.518753 0.266538 0.882919 Li\n0.980067 0.266736 0.884265 Li\n0.986017 0.264684 0.383661 Li\n0.746725 0.085628 0.625482 Li\n0.763851 0.086961 0.124388 Li\n0.752328 0.641566 0.887365 Mn\n0.747615 0.641745 0.388800 Mn\n0.244894 0.353817 0.612849 Mn\n0.250045 0.356074 0.109821 Mn\n0.254823 0.584879 0.850345 P\n0.240646 0.594506 0.351523 P\n0.744208 0.402741 0.649117 P\n0.759321 0.405914 0.145926 P\n0.749427 0.958792 0.867245 C\n0.760229 0.955092 0.365389 C\n0.257988 0.045964 0.629421 C\n0.238895 0.052317 0.139017 C\n0.281286 0.899630 0.647342 O\n0.223263 0.904263 0.153836 O\n0.750316 0.910861 0.988525 O\n0.751194 0.909683 0.487683 O\n0.749844 0.859130 0.768618 O\n0.750802 0.853825 0.268077 O\n0.068926 0.677614 0.897668 O\n0.438878 0.676215 0.902733 O\n0.062895 0.696063 0.397890 O\n0.430650 0.685737 0.397220 O\n0.261552 0.579077 0.695446 O\n0.732577 0.570215 0.596684 O\n0.236155 0.579923 0.196529 O\n0.768637 0.573076 0.093726 O\n0.250411 0.415785 0.898970 O\n0.753170 0.414623 0.804583 O\n0.232910 0.429381 0.406842 O\n0.767774 0.418504 0.300726 O\n0.561948 0.302874 0.606408 O\n0.928211 0.312965 0.596140 O\n0.568266 0.316460 0.100788 O\n0.933670 0.304783 0.092809 O\n0.244338 0.140017 0.731329 O\n0.244312 0.142622 0.243119 O\n0.246623 0.098380 0.509934 O\n0.250529 0.111820 0.022249 O\n0.748584 0.104794 0.841842 O\n0.777128 0.099102 0.337597 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7917987381973632,
"density_atomic": 0.08856266347709597,
"volume": 587.1548794763632,
"volume_molar": 6.799864100245182,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.4774873,
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"updated_at": "2021-11-28T01:34:27.700000Z",
"spacegroup": 1
},
{
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{
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{
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{
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{
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}