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{
"id": "mp-705961",
"created_at": "2022-09-04T14:41:30.299246Z",
"structure_string": "Li15 Mn36 O72\n1.0\n5.054307 -0.000905 2.918782\n1.586196 4.919217 3.087987\n-0.842151 1.258654 53.994442\nLi Mn O\n15 36 72\ndirect\n0.109077 0.136388 0.016172 Li\n0.132131 0.116778 0.124179 Li\n0.115368 0.135049 0.348223 Li\n0.115474 0.136966 0.459005 Li\n0.868142 0.883192 0.209091 Li\n0.129587 0.119337 0.569214 Li\n0.891374 0.863090 0.317055 Li\n0.133752 0.113724 0.679666 Li\n0.885385 0.866830 0.429164 Li\n0.137519 0.110081 0.790567 Li\n0.877088 0.871916 0.541848 Li\n0.863454 0.885723 0.654023 Li\n0.861926 0.883707 0.765864 Li\n0.865106 0.886272 0.876028 Li\n0.891024 0.863548 0.983803 Li\n0.996091 0.508284 0.055643 Mn\n0.494831 0.508278 0.055620 Mn\n0.000063 0.499763 0.166667 Mn\n0.508187 0.486648 0.110716 Mn\n0.499955 0.000112 0.166654 Mn\n0.495332 0.000992 0.056472 Mn\n0.500145 0.499886 0.166656 Mn\n0.004770 0.492736 0.277395 Mn\n0.492448 0.514550 0.222342 Mn\n0.505740 0.492690 0.277387 Mn\n0.000978 0.500565 0.388647 Mn\n0.502293 0.500594 0.332641 Mn\n0.505501 0.000658 0.276480 Mn\n0.000169 0.503957 0.500067 Mn\n0.500536 0.500544 0.388617 Mn\n0.498156 -0.000996 0.500536 Mn\n0.501173 0.498107 0.444189 Mn\n0.500573 0.000924 0.388668 Mn\n0.495811 0.504117 0.500032 Mn\n-0.000927 0.501363 0.611203 Mn\n0.508327 0.483897 0.555791 Mn\n0.498699 0.501513 0.611204 Mn\n-0.001362 0.501027 0.722362 Mn\n0.498961 -0.000628 0.722410 Mn\n0.498821 0.498494 0.666914 Mn\n0.498936 -0.002073 0.611621 Mn\n0.498620 0.500913 0.722354 Mn\n0.498478 0.500715 0.778054 Mn\n0.497304 0.496583 0.834304 Mn\n0.003546 0.491922 0.944406 Mn\n0.488613 0.518062 0.889512 Mn\n0.499730 0.002508 0.833103 Mn\n0.504832 0.000180 0.943379 Mn\n0.505037 0.492011 0.944416 Mn\n-0.001844 0.496815 0.834254 Mn\n0.500242 0.501123 -0.000168 Mn\n0.245565 0.277687 0.031026 O\n0.250251 0.283456 0.079528 O\n0.246987 0.724420 0.031305 O\n0.697457 0.277913 0.030995 O\n0.275431 0.249429 0.139455 O\n0.303173 0.721712 0.081091 O\n0.746744 0.726050 0.031198 O\n0.277878 0.255006 0.187713 O\n0.731101 0.299071 0.081964 O\n0.281105 0.699592 0.137431 O\n0.720362 0.248612 0.139100 O\n0.744515 0.721758 0.081097 O\n0.279979 0.751672 0.194157 O\n0.255544 0.279042 0.252066 O\n0.722273 0.745535 0.145522 O\n0.718826 0.300955 0.195847 O\n0.269019 0.702130 0.251167 O\n0.252365 0.276751 0.301989 O\n0.724553 0.750813 0.193812 O\n0.697235 0.279082 0.252079 O\n0.250896 0.275279 0.363642 O\n0.302718 0.722936 0.302116 O\n0.753886 0.275113 0.301837 O\n0.751386 0.715457 0.253527 O\n0.248715 0.282195 0.413324 O\n0.249532 0.721245 0.364385 O\n0.754533 0.722904 0.302128 O\n0.700696 0.276002 0.363593 O\n0.246826 0.274171 0.475386 O\n0.300441 0.725208 0.413838 O\n0.751374 0.278935 0.413111 O\n0.752436 0.719456 0.363979 O\n0.248845 0.284863 0.524271 O\n0.248133 0.723754 0.475503 O\n0.699205 0.274092 0.475286 O\n0.749029 0.725301 0.413865 O\n0.281539 0.244963 0.583663 O\n0.297807 0.724690 0.525855 O\n0.738812 0.288430 0.526091 O\n0.749690 0.719952 0.475621 O\n0.276555 0.702086 0.582919 O\n0.273114 0.250921 0.633546 O\n0.747151 0.724734 0.525864 O\n0.722334 0.243843 0.583756 O\n0.279208 0.249439 0.694398 O\n0.277351 0.750917 0.639155 O\n0.726590 0.749865 0.588677 O\n0.724707 0.300884 0.638694 O\n0.273580 0.699057 0.694700 O\n0.274487 0.249665 0.744578 O\n0.720370 0.249334 0.694247 O\n0.718612 0.750353 0.639163 O\n0.280448 0.251425 0.805173 O\n0.277725 0.752063 0.750224 O\n0.276298 0.698179 0.805624 O\n0.724936 0.300562 0.749958 O\n0.723775 0.750668 0.700038 O\n0.278435 0.248981 0.854916 O\n0.722582 0.251114 0.805083 O\n0.719119 0.752354 0.750056 O\n0.277289 0.757853 0.860895 O\n0.255010 0.280034 0.918894 O\n0.725628 0.744208 0.811706 O\n0.715857 0.301665 0.863042 O\n0.266777 0.702450 0.918332 O\n0.253544 0.272819 0.968887 O\n0.695710 0.280358 0.918870 O\n0.718126 0.758153 0.860796 O\n0.302527 0.722022 0.969140 O\n0.749208 0.716695 0.920599 O\n0.752699 0.274922 0.968836 O\n0.753212 0.722310 0.969112 O\n",
"nsites": 123,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.0049205046519525,
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"volume": 1340.830612458284,
"volume_molar": 6.5647729134478015,
"formula_full": "Li15 Mn36 O72",
"formula_reduced": "Li5Mn12O24",
"formula_anonymous": "A5B12C24",
"energy": -961.98707968,
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"updated_at": "2021-11-28T01:35:10.920000Z",
"spacegroup": 8
},
{
"id": "mp-1196278",
"created_at": "2022-09-04T14:39:22.754805Z",
"structure_string": "Sm8 Fe56 C4\n1.0\n8.729003 0.000000 0.000000\n0.000000 8.729003 0.000000\n0.000000 0.000000 11.829893\nSm Fe C\n8 56 4\ndirect\n0.239405 0.760595 0.500000 Sm\n0.760595 0.239405 0.500000 Sm\n0.260595 0.260595 0.000000 Sm\n0.739405 0.739405 0.000000 Sm\n0.643445 0.643445 0.500000 Sm\n0.356555 0.356555 0.500000 Sm\n0.856555 0.143445 0.000000 Sm\n0.143445 0.856555 0.000000 Sm\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.107167 Fe\n0.000000 0.000000 0.607167 Fe\n0.500000 0.500000 0.892833 Fe\n0.000000 0.000000 0.392833 Fe\n0.183399 0.816601 0.254731 Fe\n0.816601 0.183399 0.254731 Fe\n0.316601 0.316601 0.754731 Fe\n0.683399 0.683399 0.754731 Fe\n0.816601 0.183399 0.745269 Fe\n0.183399 0.816601 0.745269 Fe\n0.683399 0.683399 0.245269 Fe\n0.316601 0.316601 0.245269 Fe\n0.402556 0.597444 0.293946 Fe\n0.597444 0.402556 0.293946 Fe\n0.097444 0.097444 0.793946 Fe\n0.902556 0.902556 0.793946 Fe\n0.597444 0.402556 0.706054 Fe\n0.402556 0.597444 0.706054 Fe\n0.902556 0.902556 0.206054 Fe\n0.097444 0.097444 0.206054 Fe\n0.141012 0.535799 0.323721 Fe\n0.858988 0.464201 0.323721 Fe\n0.358988 0.035799 0.823721 Fe\n0.641012 0.964201 0.823721 Fe\n0.858988 0.464201 0.676279 Fe\n0.141012 0.535799 0.676279 Fe\n0.641012 0.964201 0.176279 Fe\n0.358988 0.035799 0.176279 Fe\n0.535799 0.141012 0.323721 Fe\n0.464201 0.858988 0.323721 Fe\n0.035799 0.358988 0.823721 Fe\n0.964201 0.641012 0.823721 Fe\n0.464201 0.858988 0.676279 Fe\n0.535799 0.141012 0.676279 Fe\n0.964201 0.641012 0.176279 Fe\n0.035799 0.358988 0.176279 Fe\n0.934797 0.725849 0.378711 Fe\n0.065203 0.274151 0.378711 Fe\n0.565203 0.225849 0.878711 Fe\n0.434797 0.774151 0.878711 Fe\n0.065203 0.274151 0.621289 Fe\n0.934797 0.725849 0.621289 Fe\n0.434797 0.774151 0.121289 Fe\n0.565203 0.225849 0.121289 Fe\n0.725849 0.934797 0.378711 Fe\n0.274151 0.065203 0.378711 Fe\n0.225849 0.565203 0.878711 Fe\n0.774151 0.434797 0.878711 Fe\n0.274151 0.065203 0.621289 Fe\n0.725849 0.934797 0.621289 Fe\n0.774151 0.434797 0.121289 Fe\n0.225849 0.565203 0.121289 Fe\n0.873143 0.873143 0.500000 C\n0.126857 0.126857 0.500000 C\n0.626857 0.373143 0.000000 C\n0.373143 0.626857 0.000000 C\n",
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"elements": [
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],
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"formula_full": "Sm8 Fe56 C4",
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"spacegroup": 136
},
{
"id": "mp-1197275",
"created_at": "2022-09-04T14:46:09.252359Z",
"structure_string": "Tb8 Fe56 C4\n1.0\n8.729041 0.000000 0.000000\n0.000000 8.729041 0.000000\n0.000000 0.000000 11.772369\nTb Fe C\n8 56 4\ndirect\n0.241094 0.758906 0.500000 Tb\n0.758906 0.241094 0.500000 Tb\n0.258906 0.258906 0.000000 Tb\n0.741094 0.741094 0.000000 Tb\n0.643920 0.643920 0.500000 Tb\n0.356080 0.356080 0.500000 Tb\n0.856080 0.143920 0.000000 Tb\n0.143920 0.856080 0.000000 Tb\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.106411 Fe\n0.000000 0.000000 0.606411 Fe\n0.500000 0.500000 0.893589 Fe\n0.000000 0.000000 0.393589 Fe\n0.183011 0.816989 0.254981 Fe\n0.816989 0.183011 0.254981 Fe\n0.316989 0.316989 0.754981 Fe\n0.683011 0.683011 0.754981 Fe\n0.816989 0.183011 0.745019 Fe\n0.183011 0.816989 0.745019 Fe\n0.683011 0.683011 0.245019 Fe\n0.316989 0.316989 0.245019 Fe\n0.402679 0.597321 0.295778 Fe\n0.597321 0.402679 0.295778 Fe\n0.097321 0.097321 0.795778 Fe\n0.902679 0.902679 0.795778 Fe\n0.597321 0.402679 0.704222 Fe\n0.402679 0.597321 0.704222 Fe\n0.902679 0.902679 0.204222 Fe\n0.097321 0.097321 0.204222 Fe\n0.141469 0.535684 0.324321 Fe\n0.858531 0.464316 0.324321 Fe\n0.358531 0.035684 0.824321 Fe\n0.641469 0.964316 0.824321 Fe\n0.858531 0.464316 0.675679 Fe\n0.141469 0.535684 0.675679 Fe\n0.641469 0.964316 0.175679 Fe\n0.358531 0.035684 0.175679 Fe\n0.535684 0.141469 0.324321 Fe\n0.464316 0.858531 0.324321 Fe\n0.035684 0.358531 0.824321 Fe\n0.964316 0.641469 0.824321 Fe\n0.464316 0.858531 0.675679 Fe\n0.535684 0.141469 0.675679 Fe\n0.964316 0.641469 0.175679 Fe\n0.035684 0.358531 0.175679 Fe\n0.935334 0.725878 0.379349 Fe\n0.064666 0.274122 0.379349 Fe\n0.564666 0.225878 0.879349 Fe\n0.435334 0.774122 0.879349 Fe\n0.064666 0.274122 0.620651 Fe\n0.935334 0.725878 0.620651 Fe\n0.435334 0.774122 0.120651 Fe\n0.564666 0.225878 0.120651 Fe\n0.725878 0.935334 0.379349 Fe\n0.274122 0.064666 0.379349 Fe\n0.225878 0.564666 0.879349 Fe\n0.774122 0.435334 0.879349 Fe\n0.274122 0.064666 0.620651 Fe\n0.725878 0.935334 0.620651 Fe\n0.774122 0.435334 0.120651 Fe\n0.225878 0.564666 0.120651 Fe\n0.871001 0.871001 0.500000 C\n0.128999 0.128999 0.500000 C\n0.628999 0.371001 0.000000 C\n0.371001 0.628999 0.000000 C\n",
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{
"id": "mp-1182789",
"created_at": "2022-09-04T14:43:42.188359Z",
"structure_string": "Fe24 Cl72\n1.0\n3.090911 -5.353615 0.000000\n3.090911 5.353615 0.000000\n0.000000 0.000000 73.852903\nFe Cl\n24 72\ndirect\n0.333333 0.666667 0.708313 Fe\n0.000000 0.000000 0.541442 Fe\n0.666667 0.333333 0.542029 Fe\n0.333333 0.666667 0.041811 Fe\n0.666667 0.333333 0.124574 Fe\n0.000000 0.000000 0.708502 Fe\n0.333333 0.666667 0.875426 Fe\n0.333333 0.666667 0.624903 Fe\n0.333333 0.666667 0.457971 Fe\n0.000000 0.000000 0.041513 Fe\n0.666667 0.333333 0.625570 Fe\n0.666667 0.333333 0.791986 Fe\n0.333333 0.666667 0.124002 Fe\n0.000000 0.000000 0.208556 Fe\n0.000000 0.000000 0.458558 Fe\n0.333333 0.666667 0.208014 Fe\n0.000000 0.000000 0.791444 Fe\n0.000000 0.000000 0.291498 Fe\n0.000000 0.000000 0.958487 Fe\n0.333333 0.666667 0.374430 Fe\n0.666667 0.333333 0.875998 Fe\n0.666667 0.333333 0.958189 Fe\n0.666667 0.333333 0.375097 Fe\n0.666667 0.333333 0.291687 Fe\n0.032530 0.698458 0.476891 Cl\n0.632634 0.999567 0.643925 Cl\n0.300047 0.332837 0.060246 Cl\n0.699524 0.666019 0.272817 Cl\n0.665928 0.967470 0.476891 Cl\n0.300414 0.967811 0.439608 Cl\n0.000578 0.633690 0.393447 Cl\n0.631737 0.999313 0.894472 Cl\n0.697518 0.665933 0.773200 Cl\n0.367366 0.000433 0.356075 Cl\n0.031885 0.332917 0.689887 Cl\n0.000433 0.633067 0.643925 Cl\n0.368263 0.000687 0.105528 Cl\n0.301032 0.968115 0.689887 Cl\n0.366873 0.367432 0.142925 Cl\n0.967470 0.301542 0.523109 Cl\n0.032790 0.699953 0.060246 Cl\n0.032189 0.332603 0.439608 Cl\n0.334067 0.031585 0.773200 Cl\n0.302482 0.334067 0.226800 Cl\n0.032041 0.332533 0.189555 Cl\n0.667397 0.699586 0.439608 Cl\n0.667467 0.699507 0.189555 Cl\n0.667083 0.698968 0.689887 Cl\n0.332603 0.300414 0.560392 Cl\n0.966495 0.300476 0.272817 Cl\n0.699586 0.032189 0.560392 Cl\n0.999422 0.366310 0.606553 Cl\n0.967210 0.300047 0.939754 Cl\n0.666179 0.699191 0.022957 Cl\n0.699507 0.032041 0.810445 Cl\n0.333821 0.300809 0.977043 Cl\n0.033012 0.333821 0.022957 Cl\n0.333981 0.033505 0.272817 Cl\n0.633690 0.633113 0.606553 Cl\n0.968415 0.302482 0.773200 Cl\n0.967811 0.667397 0.560392 Cl\n0.666019 0.966495 0.727183 Cl\n0.000558 0.633127 0.142925 Cl\n0.698968 0.031885 0.310113 Cl\n0.366887 0.000578 0.606553 Cl\n0.699191 0.033012 0.977043 Cl\n0.665933 0.968415 0.226800 Cl\n0.633067 0.632634 0.356075 Cl\n0.301542 0.334072 0.476891 Cl\n0.699953 0.667163 0.939754 Cl\n0.632425 0.631737 0.105528 Cl\n0.366310 0.366887 0.393447 Cl\n0.633127 0.632568 0.857075 Cl\n0.033505 0.699524 0.727183 Cl\n0.332917 0.301032 0.310113 Cl\n0.367575 0.368263 0.894472 Cl\n0.698458 0.665928 0.523109 Cl\n0.999313 0.367575 0.105528 Cl\n0.667163 0.967210 0.060246 Cl\n0.632568 0.999442 0.142925 Cl\n0.633113 0.999422 0.393447 Cl\n0.031585 0.697518 0.226800 Cl\n0.999442 0.366873 0.857075 Cl\n0.332837 0.032790 0.939754 Cl\n0.000687 0.632425 0.894472 Cl\n0.366933 0.367366 0.643925 Cl\n0.968115 0.667083 0.310113 Cl\n0.999567 0.366933 0.356075 Cl\n0.300493 0.967959 0.189555 Cl\n0.300476 0.333981 0.727183 Cl\n0.300809 0.966988 0.022957 Cl\n0.334072 0.032530 0.523109 Cl\n0.967959 0.667467 0.810445 Cl\n0.367432 0.000558 0.857075 Cl\n0.966988 0.666179 0.977043 Cl\n0.332533 0.300493 0.810445 Cl\n",
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},
{
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0.804074 O\n0.269707 0.684056 0.022289 O\n0.236584 0.509081 0.251270 O\n0.315944 0.585651 0.355622 O\n0.227334 0.475984 0.786928 O\n0.414349 0.730293 0.688955 O\n0.420007 0.811006 0.278512 O\n0.450509 0.826928 0.805610 O\n0.312085 0.438190 0.079473 O\n0.329235 0.457041 0.639162 O\n0.376419 0.549491 0.472277 O\n0.240583 0.281982 0.531004 O\n0.390999 0.579993 0.945179 O\n0.490919 0.727503 0.584604 O\n0.542959 0.872193 0.972495 O\n0.561810 0.873896 0.412806 O\n0.164797 0.129788 0.091922 O\n0.249617 0.272305 0.423720 O\n0.314599 0.330118 0.177549 O\n0.173953 0.097120 0.637407 O\n0.340822 0.355571 0.857956 O\n0.524016 0.751350 0.120261 O\n0.279101 0.236945 0.974023 O\n0.644429 0.985251 0.191290 O\n0.352591 0.297873 0.751253 O\n0.369268 0.302004 0.303928 O\n0.669882 0.984481 0.510883 O\n0.718018 0.958600 0.864337 O\n0.272305 0.022688 0.257054 O\n0.727695 0.977312 0.757054 O\n0.281982 0.041400 0.364337 O\n0.330118 0.015519 0.010883 O\n0.630732 0.697996 0.803928 O\n0.647409 0.702127 0.251253 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O\n0.702127 0.054719 0.084587 O\n0.873896 0.312085 0.246140 O\n0.872193 0.329235 0.805829 O\n0.763055 0.042156 0.307356 O\n0.985251 0.340822 0.024623 O\n0.958600 0.240583 0.697670 O\n0.870212 0.035009 0.425255 O\n0.984481 0.314599 0.344216 O\n0.902880 0.076833 0.970740 O\n0.977312 0.249617 0.590387 O\n",
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"elements": [
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],
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"density": 2.924809051007652,
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"volume": 2110.2193239227026,
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"formula_full": "Li24 Fe24 Si24 O96",
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"updated_at": "2021-11-28T01:38:14.255000Z",
"spacegroup": 169
},
{
"id": "mp-757809",
"created_at": "2022-09-04T14:48:00.260896Z",
"structure_string": "Li24 Mn24 P24 O96\n1.0\n4.913735 -8.510838 0.000000\n4.913735 8.510838 0.000000\n0.000000 0.000000 23.341806\nLi Mn P O\n24 24 24 96\ndirect\n0.101385 0.813401 0.272282 Li\n0.095292 0.764729 0.921479 Li\n0.125811 0.760609 0.595410 Li\n0.313612 0.664295 0.755386 Li\n0.335705 0.649317 0.088719 Li\n0.350683 0.686388 0.422052 Li\n0.186599 0.287984 0.605616 Li\n0.239391 0.365202 0.928744 Li\n0.235271 0.330563 0.254812 Li\n0.634798 0.874189 0.262077 Li\n0.669437 0.904708 0.588145 Li\n0.287984 0.101385 0.438949 Li\n0.712016 0.898615 0.938949 Li\n0.330563 0.095292 0.088145 Li\n0.365202 0.125811 0.762077 Li\n0.764729 0.669437 0.754812 Li\n0.760609 0.634798 0.428744 Li\n0.813401 0.712016 0.105616 Li\n0.649317 0.313612 0.922052 Li\n0.664295 0.350683 0.588719 Li\n0.686388 0.335705 0.255386 Li\n0.874189 0.239391 0.095410 Li\n0.904708 0.235271 0.421479 Li\n0.898615 0.186599 0.772282 Li\n0.994391 0.016832 0.707466 Mn\n0.021963 0.559014 0.042728 Mn\n0.044035 0.466892 0.195796 Mn\n0.062035 0.501754 0.851115 Mn\n0.422856 0.955965 0.862463 Mn\n0.439719 0.937965 0.517782 Mn\n0.983168 0.977559 0.040799 Mn\n0.977559 0.994391 0.874132 Mn\n0.537052 0.978037 0.709395 Mn\n0.440986 0.462948 0.376061 Mn\n0.498246 0.560281 0.184448 Mn\n0.533108 0.577144 0.529130 Mn\n0.466892 0.422856 0.029130 Mn\n0.501754 0.439719 0.684448 Mn\n0.559014 0.537052 0.876061 Mn\n0.462948 0.021963 0.209395 Mn\n0.022441 0.005609 0.374132 Mn\n0.016832 0.022441 0.540799 Mn\n0.560281 0.062035 0.017782 Mn\n0.577144 0.044035 0.362463 Mn\n0.937965 0.498246 0.351115 Mn\n0.955965 0.533108 0.695796 Mn\n0.978037 0.440986 0.542728 Mn\n0.005609 0.983168 0.207466 Mn\n0.092583 0.794623 0.792316 P\n0.082418 0.758775 0.467059 P\n0.136611 0.793306 0.136511 P\n0.294286 0.656238 0.291628 P\n0.361952 0.705714 0.958295 P\n0.343762 0.638048 0.624962 P\n0.206694 0.343305 0.469844 P\n0.205377 0.297960 0.125649 P\n0.241225 0.323643 0.800392 P\n0.656695 0.863389 0.803178 P\n0.676357 0.917582 0.133725 P\n0.702040 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"elements": [
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"formula_full": "Li24 Mn24 P24 O96",
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"updated_at": "2021-11-28T01:38:25.284000Z",
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},
{
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"elements": [
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"density": 5.116048793930834,
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"volume": 939.0457501485183,
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"formula_full": "Zn12 Fe24 O48",
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"updated_at": "2021-11-28T01:36:50.053000Z",
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},
{
"id": "mp-532027",
"created_at": "2022-09-04T14:45:34.046085Z",
"structure_string": "Cd12 Fe24 O48\n1.0\n3.119764 -5.403589 0.000000\n3.119764 5.403589 0.000000\n0.000000 0.000000 30.748044\nCd Fe O\n12 24 48\ndirect\n0.333333 0.666667 0.956910 Cd\n0.666667 0.333333 0.981236 Cd\n0.666667 0.333333 0.668310 Cd\n0.666667 0.333333 0.789742 Cd\n0.000000 0.000000 0.811027 Cd\n0.000000 0.000000 0.500010 Cd\n0.000000 0.000000 0.623366 Cd\n0.333333 0.666667 0.333499 Cd\n0.333333 0.666667 0.459071 Cd\n0.666667 0.333333 0.292385 Cd\n0.666667 0.333333 0.165993 Cd\n0.000000 0.000000 0.125194 Cd\n0.000000 0.000000 0.001466 Fe\n0.333333 0.666667 0.835650 Fe\n0.829973 0.170027 0.895698 Fe\n0.340054 0.170027 0.895698 Fe\n0.829973 0.659946 0.895698 Fe\n0.165293 0.834707 0.727469 Fe\n0.669414 0.834707 0.727469 Fe\n0.165293 0.330586 0.727469 Fe\n0.500135 0.499865 0.562682 Fe\n0.333333 0.666667 0.645321 Fe\n0.999731 0.499865 0.562682 Fe\n0.500135 0.000269 0.562682 Fe\n0.833024 0.166976 0.396191 Fe\n0.666667 0.333333 0.479681 Fe\n0.333951 0.166976 0.396191 Fe\n0.833024 0.666049 0.396191 Fe\n0.166001 0.833999 0.229832 Fe\n0.000000 0.000000 0.313302 Fe\n0.667998 0.833999 0.229832 Fe\n0.166001 0.332002 0.229832 Fe\n0.496516 0.503484 0.063884 Fe\n0.333333 0.666667 0.147980 Fe\n0.006968 0.503484 0.063884 Fe\n0.496516 0.993032 0.063884 Fe\n0.517014 0.034028 0.930170 O\n0.965972 0.482986 0.930170 O\n0.666667 0.333333 0.860955 O\n0.517014 0.482986 0.930170 O\n0.847049 0.694098 0.760152 O\n0.163623 0.836377 0.859814 O\n0.672754 0.836377 0.859814 O\n0.000000 0.000000 0.693463 O\n0.305902 0.152951 0.760152 O\n0.000000 0.000000 0.936018 O\n0.847049 0.152951 0.760152 O\n0.163623 0.327246 0.859814 O\n0.189777 0.379554 0.600458 O\n0.474038 0.525962 0.689453 O\n0.051924 0.525962 0.689453 O\n0.333333 0.666667 0.529354 O\n0.333333 0.666667 0.771191 O\n0.620446 0.810223 0.600458 O\n0.189777 0.810223 0.600458 O\n0.474038 0.948076 0.689453 O\n0.522787 0.045574 0.434350 O\n0.810071 0.189929 0.523415 O\n0.379858 0.189929 0.523415 O\n0.666667 0.333333 0.596023 O\n0.954426 0.477213 0.434350 O\n0.666667 0.333333 0.362866 O\n0.522787 0.477213 0.434350 O\n0.810071 0.620142 0.523415 O\n0.143510 0.856490 0.356838 O\n0.856259 0.712518 0.267948 O\n0.000000 0.000000 0.196150 O\n0.712980 0.856490 0.356838 O\n0.000000 0.000000 0.428694 O\n0.287482 0.143741 0.267948 O\n0.856259 0.143741 0.267948 O\n0.143510 0.287020 0.356838 O\n0.191415 0.382830 0.102862 O\n0.477950 0.522050 0.190744 O\n0.333333 0.666667 0.029524 O\n0.044100 0.522050 0.190744 O\n0.333333 0.666667 0.262139 O\n0.617170 0.808585 0.102862 O\n0.191415 0.808585 0.102862 O\n0.477950 0.955900 0.190744 O\n0.835578 0.164422 0.028026 O\n0.328844 0.164422 0.028026 O\n0.666667 0.333333 0.093525 O\n0.835578 0.671156 0.028026 O\n",
"nsites": 84,
"nelements": 3,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Cd-Fe-O",
"density": 5.537579199220607,
"density_atomic": 0.08102662419468637,
"volume": 1036.6962814366962,
"volume_molar": 7.432298728786142,
"formula_full": "Cd12 Fe24 O48",
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"updated_at": "2021-11-28T01:37:04.186000Z",
"spacegroup": 156
}
]
}