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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-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": [
"Na",
"Li",
"Mn",
"P",
"C",
"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,
"energy_per_atom": -7.196438482692307,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -174.15340055,
"band_gap": 3.3952,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0022204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.409000Z",
"spacegroup": 6
},
{
"id": "mp-770929",
"created_at": "2022-09-04T14:39:05.308928Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n8.815864 0.334648 0.105590\n0.256113 6.752439 -0.052669\n0.045958 -0.039498 5.160699\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.084387 0.210119 0.743455 Na\n0.245226 0.517555 0.247964 Na\n0.751350 0.491527 0.754237 Na\n0.295037 0.054786 0.215627 Li\n0.714387 0.951251 0.778341 Li\n0.906801 0.805992 0.262388 Li\n0.359482 0.758230 0.778547 Mn\n0.650091 0.235345 0.223205 Mn\n0.422100 0.244582 0.712740 P\n0.584951 0.750799 0.289135 P\n0.035901 0.762292 0.737739 C\n0.954415 0.237147 0.260519 C\n0.100969 0.236718 0.281508 O\n0.062576 0.752802 0.983436 O\n0.148542 0.766550 0.569783 O\n0.326966 0.078233 0.823239 O\n0.338012 0.444790 0.800006 O\n0.428754 0.230098 0.409395 O\n0.419432 0.780946 0.187662 O\n0.587706 0.221335 0.811053 O\n0.575858 0.768607 0.591863 O\n0.662651 0.547940 0.204399 O\n0.688597 0.910549 0.180758 O\n0.866562 0.236597 0.466690 O\n0.891290 0.235047 0.035695 O\n0.897956 0.770162 0.650615 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.759115231605815,
"density_atomic": 0.08476957829082364,
"volume": 306.7138061109656,
"volume_molar": 7.104129667059934,
"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -188.783342,
"energy_per_atom": -7.26089776923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.829342,
"band_gap": 3.4453,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0015223,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.969000Z",
"spacegroup": 1
},
{
"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": [
"Na",
"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,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -348.08111022,
"band_gap": 3.0513000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0045203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.119000Z",
"spacegroup": 4
},
{
"id": "mp-772234",
"created_at": "2022-09-04T14:46:12.470145Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.702044 0.000000 0.000000\n-0.079417 8.685289 0.000000\n-0.023530 -0.238941 10.062657\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.259134 0.083907 0.122222 Na\n0.999300 0.252059 0.376699 Na\n0.998812 0.251676 0.873483 Na\n0.499508 0.748659 0.624559 Na\n0.253033 0.081337 0.623764 Li\n0.478100 0.268634 0.387630 Li\n0.481005 0.268567 0.881836 Li\n0.520240 0.733734 0.117645 Li\n0.978497 0.732679 0.114886 Li\n0.984662 0.736270 0.616312 Li\n0.745601 0.914362 0.374109 Li\n0.748760 0.912874 0.875300 Li\n0.746178 0.357666 0.112922 Mn\n0.744768 0.357325 0.611689 Mn\n0.245881 0.646491 0.386888 Mn\n0.248536 0.644353 0.889846 Mn\n0.254549 0.414627 0.148703 P\n0.248786 0.404749 0.647840 P\n0.744860 0.596918 0.351337 P\n0.749854 0.594084 0.854255 P\n0.748452 0.041161 0.132883 C\n0.756136 0.045226 0.635040 C\n0.258264 0.955107 0.370184 C\n0.256779 0.948183 0.860490 C\n0.277398 0.101151 0.352323 O\n0.274869 0.095301 0.844507 O\n0.751562 0.087990 0.011170 O\n0.750417 0.088622 0.512401 O\n0.743985 0.141266 0.231141 O\n0.737833 0.146177 0.731857 O\n0.063122 0.323343 0.106946 O\n0.432034 0.321976 0.089581 O\n0.062670 0.303410 0.612179 O\n0.429356 0.313754 0.590777 O\n0.270391 0.420556 0.303624 O\n0.734282 0.429374 0.402948 O\n0.269859 0.419887 0.802616 O\n0.733672 0.427262 0.905586 O\n0.253307 0.584186 0.100930 O\n0.752069 0.585689 0.195535 O\n0.233573 0.570020 0.593264 O\n0.765286 0.581880 0.699380 O\n0.563940 0.696463 0.394483 O\n0.930238 0.687683 0.404985 O\n0.568290 0.695603 0.895711 O\n0.933397 0.683882 0.911956 O\n0.244810 0.859832 0.268298 O\n0.241801 0.856553 0.756435 O\n0.251131 0.902184 0.490228 O\n0.252744 0.889031 0.977678 O\n0.749402 0.894983 0.158790 O\n0.778868 0.901289 0.664143 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.798546728319229,
"density_atomic": 0.08877672617801093,
"volume": 585.7391034642575,
"volume_molar": 6.783467941726851,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.56618428,
"energy_per_atom": -7.280118928461539,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -352.65818428,
"band_gap": 3.5433,
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"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.282000Z",
"spacegroup": 1
},
{
"id": "mp-772483",
"created_at": "2022-09-04T14:47:03.868261Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.767011 0.000000 0.000000\n-0.100429 8.982738 0.000000\n-0.062073 -0.006646 10.374923\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.243941 0.917431 0.629037 Na\n0.247942 0.916382 0.130504 Na\n0.498365 0.742214 0.373705 Na\n0.000929 0.741642 0.873718 Na\n0.499028 0.740856 0.873314 Na\n0.501635 0.257786 0.626295 Na\n0.500972 0.259144 0.126686 Na\n0.999071 0.258358 0.126282 Na\n0.756059 0.082569 0.370963 Na\n0.752058 0.083618 0.869496 Na\n0.012129 0.729891 0.368914 Li\n0.987871 0.270109 0.631086 Li\n0.750188 0.638816 0.636843 Mn\n0.752768 0.638064 0.141821 Mn\n0.249812 0.361184 0.363157 Mn\n0.247232 0.361936 0.858179 Mn\n0.241630 0.587432 0.598553 P\n0.250561 0.588291 0.103176 P\n0.758370 0.412568 0.401447 P\n0.749439 0.411709 0.896824 P\n0.757907 0.944084 0.617257 C\n0.751000 0.939354 0.118398 C\n0.242093 0.055916 0.382743 C\n0.249000 0.060646 0.881602 C\n0.230799 0.911541 0.392392 O\n0.252468 0.916576 0.892566 O\n0.750562 0.880751 0.730331 O\n0.752796 0.877239 0.231443 O\n0.752798 0.860289 0.514708 O\n0.752930 0.855684 0.015603 O\n0.064862 0.681516 0.645246 O\n0.432470 0.673219 0.640341 O\n0.069128 0.680216 0.147517 O\n0.436921 0.680568 0.143127 O\n0.234361 0.577339 0.447697 O\n0.765803 0.574032 0.346003 O\n0.246217 0.571123 0.953031 O\n0.749039 0.569349 0.836468 O\n0.234197 0.425968 0.653997 O\n0.765639 0.422661 0.552303 O\n0.250961 0.430651 0.163532 O\n0.753783 0.428877 0.046969 O\n0.567530 0.326781 0.359659 O\n0.935138 0.318484 0.354754 O\n0.563079 0.319432 0.856873 O\n0.930872 0.319784 0.852483 O\n0.247202 0.139711 0.485292 O\n0.247070 0.144316 0.984397 O\n0.249438 0.119249 0.269669 O\n0.247204 0.122761 0.768557 O\n0.769201 0.088459 0.607608 O\n0.747532 0.083424 0.107434 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8527823886626127,
"density_atomic": 0.08245421212785183,
"volume": 630.6530455881364,
"volume_molar": 7.303618098566258,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.96490019,
"energy_per_atom": -7.191632695961538,
"energy_above_hull": null,
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"energy_uncorrected": -348.05690019,
"band_gap": 3.3307,
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"total_magnetization": 20.0047114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.756000Z",
"spacegroup": 2
},
{
"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,
"nelements": 6,
"elements": [
"Na",
"Li",
"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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"energy_uncorrected": -351.40758938,
"band_gap": 2.1898,
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"updated_at": "2021-11-28T01:37:22.442000Z",
"spacegroup": 1
},
{
"id": "mp-772558",
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{
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{
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{
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{
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{
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]
}