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{
"id": "mp-774444",
"created_at": "2022-09-04T14:40:19.239547Z",
"structure_string": "Li8 Mn12 Si16 O48\n1.0\n7.672628 0.000000 0.000000\n0.000000 10.388620 0.000000\n0.000000 0.000000 14.092742\nLi Mn Si O\n8 12 16 48\ndirect\n0.032276 0.750000 0.140377 Li\n0.236383 0.750000 0.495150 Li\n0.263617 0.250000 0.995150 Li\n0.467724 0.250000 0.640377 Li\n0.532276 0.750000 0.359623 Li\n0.736383 0.750000 0.004850 Li\n0.763617 0.250000 0.504850 Li\n0.967724 0.250000 0.859623 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.229774 0.750000 0.715317 Mn\n0.292106 0.750000 0.939455 Mn\n0.207894 0.250000 0.439455 Mn\n0.270226 0.250000 0.215317 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.729774 0.750000 0.784683 Mn\n0.707894 0.250000 0.060545 Mn\n0.792106 0.750000 0.560545 Mn\n0.770226 0.250000 0.284683 Mn\n0.180220 0.037302 0.622924 Si\n0.180220 0.462698 0.622924 Si\n0.220449 0.538701 0.333539 Si\n0.220449 0.961299 0.333539 Si\n0.279551 0.038701 0.833539 Si\n0.279551 0.461299 0.833539 Si\n0.319780 0.537302 0.122924 Si\n0.319780 0.962698 0.122924 Si\n0.680220 0.037302 0.877076 Si\n0.680220 0.462698 0.877076 Si\n0.720449 0.538701 0.166461 Si\n0.720449 0.961299 0.166461 Si\n0.779551 0.038701 0.666461 Si\n0.779551 0.461299 0.666461 Si\n0.819780 0.537302 0.377076 Si\n0.819780 0.962698 0.377076 Si\n0.027199 0.578493 0.376519 O\n0.027199 0.921507 0.376519 O\n0.136854 0.390068 0.900484 O\n0.136854 0.109932 0.900484 O\n0.211165 0.883737 0.608125 O\n0.211165 0.616263 0.608125 O\n0.220135 0.614094 0.038036 O\n0.220135 0.885906 0.038036 O\n0.242260 0.118292 0.328209 O\n0.242260 0.381708 0.328209 O\n0.229873 0.592420 0.222700 O\n0.229873 0.907580 0.222700 O\n0.270127 0.407580 0.722700 O\n0.270127 0.092420 0.722700 O\n0.257740 0.618292 0.828209 O\n0.257740 0.881708 0.828209 O\n0.279865 0.114094 0.538036 O\n0.279865 0.385906 0.538036 O\n0.288835 0.116263 0.108125 O\n0.288835 0.383737 0.108125 O\n0.363146 0.609932 0.400484 O\n0.363146 0.890068 0.400484 O\n0.472801 0.078493 0.876519 O\n0.472801 0.421507 0.876519 O\n0.527199 0.921507 0.123481 O\n0.527199 0.578493 0.123481 O\n0.636854 0.109932 0.599516 O\n0.636854 0.390068 0.599516 O\n0.711165 0.616263 0.891875 O\n0.711165 0.883737 0.891875 O\n0.720135 0.614094 0.461964 O\n0.720135 0.885906 0.461964 O\n0.742260 0.118292 0.171791 O\n0.742260 0.381708 0.171791 O\n0.729873 0.592420 0.277300 O\n0.729873 0.907580 0.277300 O\n0.770127 0.092420 0.777300 O\n0.770127 0.407580 0.777300 O\n0.757740 0.618292 0.671791 O\n0.757740 0.881708 0.671791 O\n0.779865 0.114094 0.961964 O\n0.779865 0.385906 0.961964 O\n0.788835 0.116263 0.391875 O\n0.788835 0.383737 0.391875 O\n0.863146 0.609932 0.099516 O\n0.863146 0.890068 0.099516 O\n0.972801 0.078493 0.623481 O\n0.972801 0.421507 0.623481 O\n",
"nsites": 84,
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"elements": [
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"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.856186287956713,
"density_atomic": 0.07477936651093106,
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"formula_full": "Li8 Mn12 Si16 O48",
"formula_reduced": "Li2Mn3(SiO3)4",
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"updated_at": "2021-11-28T01:34:53.221000Z",
"spacegroup": 62
},
{
"id": "mp-645189",
"created_at": "2022-09-04T14:40:14.044600Z",
"structure_string": "Cs2 K2 Pt12 S12 O56\n1.0\n10.033014 -6.088738 0.000000\n10.033014 6.088738 0.000000\n6.337940 0.000000 9.877480\nCs K Pt S O\n2 2 12 12 56\ndirect\n0.414511 0.414511 0.414511 Cs\n0.585489 0.585489 0.585489 Cs\n0.206561 0.206561 0.206561 K\n0.793439 0.793439 0.793439 K\n0.149483 0.750939 0.196900 Pt\n0.196900 0.149483 0.750939 Pt\n0.726704 0.980797 0.038504 Pt\n0.850517 0.249061 0.803100 Pt\n0.803100 0.850517 0.249061 Pt\n0.249061 0.803100 0.850517 Pt\n0.980797 0.038504 0.726704 Pt\n0.750939 0.196900 0.149483 Pt\n0.273296 0.019203 0.961496 Pt\n0.961496 0.273296 0.019203 Pt\n0.019203 0.961496 0.273296 Pt\n0.038504 0.726704 0.980797 Pt\n0.297993 0.512345 0.053211 S\n0.741768 0.677165 0.161025 S\n0.702007 0.487655 0.946789 S\n0.258232 0.322835 0.838975 S\n0.677165 0.161025 0.741768 S\n0.053211 0.297993 0.512345 S\n0.322835 0.838975 0.258232 S\n0.487655 0.946789 0.702007 S\n0.161025 0.741768 0.677165 S\n0.946789 0.702007 0.487655 S\n0.838975 0.258232 0.322835 S\n0.512345 0.053211 0.297993 S\n0.068887 0.377572 0.371858 O\n0.818548 0.078118 0.671995 O\n0.372657 0.927605 0.117578 O\n0.882422 0.627343 0.072395 O\n0.003122 0.239955 0.847018 O\n0.664711 0.588922 0.210046 O\n0.239955 0.847018 0.003122 O\n0.747709 0.692219 0.280948 O\n0.396725 0.082091 0.634984 O\n0.159574 0.533528 0.052529 O\n0.210046 0.664711 0.588922 O\n0.447487 0.834243 0.720084 O\n0.947471 0.840426 0.466472 O\n0.719052 0.252291 0.307781 O\n0.377572 0.371858 0.068887 O\n0.692219 0.280948 0.747709 O\n0.307781 0.719052 0.252291 O\n0.052529 0.159574 0.533528 O\n0.921882 0.328005 0.181452 O\n0.634984 0.396725 0.082091 O\n0.117578 0.372657 0.927605 O\n0.760045 0.152982 0.996878 O\n0.072395 0.882422 0.627343 O\n0.371858 0.068887 0.377572 O\n0.720084 0.447487 0.834243 O\n0.279916 0.552513 0.165757 O\n0.181452 0.921882 0.328005 O\n0.906111 0.906111 0.906111 O\n0.628142 0.931113 0.622428 O\n0.152982 0.996878 0.760045 O\n0.093889 0.093889 0.093889 O\n0.789954 0.335289 0.411078 O\n0.078118 0.671995 0.818548 O\n0.603275 0.917909 0.365016 O\n0.917909 0.365016 0.603275 O\n0.627343 0.072395 0.882422 O\n0.280948 0.747709 0.692219 O\n0.466472 0.947471 0.840426 O\n0.622428 0.628142 0.931113 O\n0.335289 0.411078 0.789954 O\n0.252291 0.307781 0.719052 O\n0.082091 0.634984 0.396725 O\n0.588922 0.210046 0.664711 O\n0.328005 0.181452 0.921882 O\n0.840426 0.466472 0.947471 O\n0.996878 0.760045 0.152982 O\n0.927605 0.117578 0.372657 O\n0.411078 0.789954 0.335289 O\n0.365016 0.603275 0.917909 O\n0.834243 0.720084 0.447487 O\n0.533528 0.052529 0.159574 O\n0.931113 0.622428 0.628142 O\n0.552513 0.165757 0.279916 O\n0.165757 0.279916 0.552513 O\n0.847018 0.003122 0.239955 O\n0.671995 0.818548 0.078118 O\n",
"nsites": 84,
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"elements": [
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"K",
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"formula_full": "Cs2 K2 Pt12 S12 O56",
"formula_reduced": "CsKPt6(S3O14)2",
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"updated_at": "2021-11-28T01:34:56.669000Z",
"spacegroup": 148
},
{
"id": "mp-1223492",
"created_at": "2022-09-04T14:40:19.314763Z",
"structure_string": "Na12 Pb8 S12 Cl4 O48\n1.0\n0.000000 0.000000 -7.143301\n5.021368 -8.667134 0.000000\n-15.065691 -8.665371 0.000000\nNa Pb S Cl O\n12 8 12 4 48\ndirect\n0.747292 0.732757 0.004581 Na\n0.247292 0.267243 0.995419 Na\n0.752340 0.639442 0.630482 Na\n0.252340 0.360558 0.369518 Na\n0.505886 0.506689 0.838769 Na\n0.005886 0.493311 0.161231 Na\n0.492804 0.498806 0.164612 Na\n0.992804 0.501194 0.835388 Na\n0.493959 0.996651 0.667190 Na\n0.993959 0.003349 0.332810 Na\n0.505848 0.002982 0.334922 Na\n0.005848 0.997018 0.665078 Na\n0.754368 0.129576 0.119347 Pb\n0.254368 0.870424 0.880653 Pb\n0.749142 0.617116 0.373659 Pb\n0.249142 0.382884 0.626341 Pb\n0.748448 0.249131 0.499379 Pb\n0.248448 0.750869 0.500621 Pb\n0.748888 0.124602 0.874559 Pb\n0.248888 0.875398 0.125441 Pb\n0.749646 0.278539 0.689490 S\n0.249646 0.721461 0.310510 S\n0.751342 0.830002 0.793778 S\n0.251342 0.169998 0.206222 S\n0.752045 0.326149 0.296203 S\n0.252045 0.673851 0.703797 S\n0.749118 0.775306 0.193719 S\n0.249118 0.224694 0.806281 S\n0.751311 0.897417 0.518700 S\n0.251311 0.102583 0.481300 S\n0.746084 0.393823 0.018058 S\n0.246084 0.606177 0.981942 S\n0.521792 0.985578 0.000140 Cl\n0.021792 0.014422 0.999860 Cl\n0.481409 0.493525 0.493559 Cl\n0.981409 0.506475 0.506441 Cl\n0.909527 0.787841 0.139107 O\n0.409527 0.212159 0.860893 O\n0.073416 0.225884 0.852524 O\n0.573416 0.774116 0.147476 O\n0.918081 0.401830 0.326388 O\n0.418081 0.598170 0.673612 O\n0.080883 0.597401 0.680197 O\n0.580883 0.402599 0.319803 O\n0.924161 0.827720 0.545346 O\n0.424161 0.172280 0.454654 O\n0.086931 0.184818 0.457527 O\n0.586931 0.815182 0.542473 O\n0.920571 0.273852 0.639176 O\n0.420571 0.726148 0.360824 O\n0.085841 0.716033 0.365027 O\n0.585841 0.283967 0.634973 O\n0.748092 0.414442 0.933434 O\n0.248092 0.585558 0.066566 O\n0.764411 0.640916 0.232768 O\n0.264411 0.359084 0.767232 O\n0.756764 0.826882 0.708751 O\n0.256764 0.173118 0.291249 O\n0.749337 0.695456 0.828089 O\n0.249337 0.304544 0.171911 O\n0.917296 0.910064 0.822616 O\n0.417296 0.089936 0.177384 O\n0.081570 0.089822 0.181728 O\n0.581570 0.910178 0.818272 O\n0.739122 0.148674 0.732117 O\n0.239122 0.851326 0.267883 O\n0.749151 0.188433 0.327273 O\n0.249151 0.811567 0.672727 O\n0.749415 0.884097 0.251630 O\n0.249415 0.115903 0.748370 O\n0.760995 0.324470 0.209742 O\n0.260995 0.675530 0.790258 O\n0.751479 0.393570 0.742405 O\n0.251479 0.606430 0.257595 O\n0.917382 0.317341 0.043381 O\n0.417382 0.682659 0.956619 O\n0.080079 0.690536 0.959079 O\n0.580079 0.309464 0.040921 O\n0.741043 0.028838 0.561738 O\n0.241043 0.971162 0.438262 O\n0.739573 0.522294 0.060679 O\n0.239573 0.477706 0.939321 O\n0.753163 0.919852 0.434450 O\n0.253163 0.080148 0.565550 O\n",
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{
"id": "mp-1246122",
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"structure_string": "V24 Pb12 N48\n1.0\n10.635639 0.000000 0.000000\n-0.000000 10.635639 -0.000000\n-0.000000 0.000000 10.635639\nV Pb N\n24 12 48\ndirect\n0.378333 0.702520 0.358251 V\n0.621667 0.202520 0.141749 V\n0.121667 0.297480 0.858251 V\n0.878333 0.797480 0.641749 V\n0.358251 0.378333 0.702520 V\n0.141749 0.621667 0.202520 V\n0.858251 0.121667 0.297480 V\n0.641749 0.878333 0.797480 V\n0.702520 0.358251 0.378333 V\n0.202520 0.141749 0.621667 V\n0.297480 0.858251 0.121667 V\n0.797480 0.641749 0.878333 V\n0.621667 0.297480 0.641749 V\n0.378333 0.797480 0.858251 V\n0.878333 0.702520 0.141749 V\n0.121667 0.202520 0.358251 V\n0.641749 0.621667 0.297480 V\n0.858251 0.378333 0.797480 V\n0.141749 0.878333 0.702520 V\n0.358251 0.121667 0.202520 V\n0.297480 0.641749 0.621667 V\n0.797480 0.858251 0.378333 V\n0.702520 0.141749 0.878333 V\n0.202520 0.358251 0.121667 V\n0.500000 0.500000 -0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 -0.000000 Pb\n0.122109 0.877891 0.377891 Pb\n0.877891 0.377891 0.122109 Pb\n0.377891 0.122109 0.877891 Pb\n0.622109 0.622109 0.622109 Pb\n0.877891 0.122109 0.622109 Pb\n0.122109 0.622109 0.877891 Pb\n0.622109 0.877891 0.122109 Pb\n0.377891 0.377891 0.377891 Pb\n0.358674 0.856961 0.279233 N\n0.641326 0.356961 0.220767 N\n0.141326 0.143039 0.779233 N\n0.858674 0.643039 0.720767 N\n0.279233 0.358674 0.856961 N\n0.220767 0.641326 0.356961 N\n0.779233 0.141326 0.143039 N\n0.720767 0.858674 0.643039 N\n0.856961 0.279233 0.358674 N\n0.356961 0.220767 0.641326 N\n0.143039 0.779233 0.141326 N\n0.643039 0.720767 0.858674 N\n0.641326 0.143039 0.720767 N\n0.358674 0.643039 0.779233 N\n0.858674 0.856961 0.220767 N\n0.141326 0.356961 0.279233 N\n0.720767 0.641326 0.143039 N\n0.779233 0.358674 0.643039 N\n0.220767 0.858674 0.856961 N\n0.279233 0.141326 0.356961 N\n0.143039 0.720767 0.641326 N\n0.643039 0.779233 0.358674 N\n0.856961 0.220767 0.858674 N\n0.356961 0.279233 0.141326 N\n0.414659 0.721072 0.523677 N\n0.585341 0.221072 0.976323 N\n0.085341 0.278928 0.023677 N\n0.914659 0.778928 0.476323 N\n0.523677 0.414659 0.721072 N\n0.976323 0.585341 0.221072 N\n0.023677 0.085341 0.278928 N\n0.476323 0.914659 0.778928 N\n0.721072 0.523677 0.414659 N\n0.221072 0.976323 0.585341 N\n0.278928 0.023677 0.085341 N\n0.778928 0.476323 0.914659 N\n0.585341 0.278928 0.476323 N\n0.414659 0.778928 0.023677 N\n0.914659 0.721072 0.976323 N\n0.085341 0.221072 0.523677 N\n0.476323 0.585341 0.278928 N\n0.023677 0.414659 0.778928 N\n0.976323 0.914659 0.721072 N\n0.523677 0.085341 0.221072 N\n0.278928 0.476323 0.585341 N\n0.778928 0.023677 0.414659 N\n0.721072 0.976323 0.914659 N\n0.221072 0.523677 0.085341 N\n",
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{
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