HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=3",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup",
"results": [
{
"id": "oqmd-31843",
"created_at": "2022-09-04T14:48:58.567942Z",
"updated_at": "2022-09-04T14:48:58.567967Z",
"structure_string": "Li39 Al8 O32\n1.0\n8.990217 -0.003830 0.000688\n-0.003791 8.891537 0.014314\n0.000691 0.014569 9.048440\nAl Li O\n8 39 32\ndirect\n0.145354 0.116622 0.122606 Al\n0.355988 0.615954 0.123239 Al\n0.646113 0.114719 0.375073 Al\n0.855938 0.616052 0.376967 Al\n0.357432 0.889106 0.622129 Al\n0.143901 0.383574 0.623677 Al\n0.856721 0.884051 0.876309 Al\n0.643533 0.384752 0.877072 Al\n0.611507 0.136460 0.100015 Li\n0.887407 0.638546 0.101869 Li\n0.105871 0.832055 0.119241 Li\n0.853783 0.368461 0.119311 Li\n0.646318 0.867661 0.119360 Li\n0.395241 0.330004 0.122319 Li\n0.872702 0.096947 0.141512 Li\n0.628493 0.598454 0.143280 Li\n0.119862 0.397112 0.162051 Li\n0.379467 0.899490 0.162306 Li\n0.880698 0.896727 0.339848 Li\n0.621411 0.399849 0.340820 Li\n0.127949 0.596523 0.356530 Li\n0.372745 0.100440 0.370140 Li\n0.144447 0.864566 0.376976 Li\n0.606135 0.831620 0.378707 Li\n0.894592 0.332616 0.379249 Li\n0.353806 0.365855 0.384646 Li\n0.111457 0.135152 0.398576 Li\n0.386689 0.639020 0.398684 Li\n0.889696 0.862250 0.601677 Li\n0.600238 0.352704 0.606149 Li\n0.108137 0.669642 0.618776 Li\n0.646522 0.630222 0.619390 Li\n0.855868 0.132874 0.619915 Li\n0.869303 0.402128 0.642726 Li\n0.630276 0.901071 0.642869 Li\n0.126053 0.103353 0.659345 Li\n0.381456 0.605881 0.660544 Li\n0.619988 0.103828 0.838560 Li\n0.880107 0.603341 0.840562 Li\n0.128341 0.903432 0.855395 Li\n0.370366 0.400376 0.855856 Li\n0.355438 0.132901 0.866111 Li\n0.605069 0.669411 0.878368 Li\n0.895891 0.168310 0.878437 Li\n0.146972 0.634017 0.879203 Li\n0.385191 0.861072 0.901146 Li\n0.109295 0.366895 0.902214 Li\n0.249442 0.994845 0.009443 O\n0.250058 0.494803 0.011419 O\n0.486909 0.738733 0.038472 O\n0.013153 0.239650 0.038881 O\n0.035485 0.998601 0.240207 O\n0.251400 0.731855 0.243455 O\n0.464382 0.500174 0.243592 O\n0.247114 0.231934 0.246296 O\n0.749423 0.232474 0.253657 O\n0.752760 0.732957 0.255262 O\n0.964025 0.499936 0.257026 O\n0.536438 0.999072 0.257398 O\n0.517513 0.241186 0.453652 O\n0.986404 0.738122 0.462138 O\n0.751206 0.994166 0.488665 O\n0.750651 0.493213 0.488786 O\n0.242692 0.997712 0.507618 O\n0.249460 0.507260 0.512747 O\n0.014008 0.261911 0.536388 O\n0.486779 0.763092 0.536872 O\n0.034649 0.502213 0.741680 O\n0.253934 0.769135 0.744602 O\n0.469253 0.992011 0.747973 O\n0.236229 0.269598 0.754455 O\n0.754191 0.766464 0.755025 O\n0.747621 0.267713 0.756492 O\n0.965336 0.000744 0.756813 O\n0.534653 0.501349 0.758027 O\n0.513023 0.261290 0.962075 O\n0.987253 0.761037 0.962084 O\n0.751602 0.005781 0.988668 O\n0.749031 0.506826 0.989395 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Al",
"Li",
"O"
],
"chemical_system": "Al-Li-O",
"density": 2.2924064075230337,
"density_atomic": 0.1092213582235917,
"volume": 723.3017542070455,
"volume_molar": 5.513702500999684,
"formula_full": "Li39 Al8 O32",
"formula_reduced": "Li39Al8O32",
"formula_anonymous": "A8B32C39",
"formation_energy": -2.36244813060912,
"spacegroup": 1
},
{
"id": "oqmd-31845",
"created_at": "2022-09-04T14:48:59.667881Z",
"updated_at": "2022-09-04T14:48:59.667914Z",
"structure_string": "Li39 Al8 O32\n1.0\n8.983808 0.010282 0.003028\n0.010200 8.897069 -0.008074\n0.003064 -0.008207 9.056612\nAl Li O\n8 39 32\ndirect\n0.143091 0.117965 0.122545 Al\n0.356685 0.617265 0.123017 Al\n0.634313 0.117101 0.377446 Al\n0.856400 0.616651 0.377592 Al\n0.144656 0.383589 0.622007 Al\n0.356245 0.880143 0.625635 Al\n0.856319 0.883283 0.876523 Al\n0.644372 0.384210 0.877800 Al\n0.612308 0.137413 0.100786 Li\n0.887618 0.638167 0.101638 Li\n0.647093 0.864952 0.116878 Li\n0.106255 0.833106 0.120656 Li\n0.850549 0.367244 0.121073 Li\n0.395669 0.331406 0.121095 Li\n0.628579 0.597470 0.144426 Li\n0.869985 0.097861 0.145860 Li\n0.117603 0.402096 0.155432 Li\n0.375848 0.907326 0.171859 Li\n0.879720 0.900307 0.340919 Li\n0.619696 0.399667 0.343963 Li\n0.129222 0.597160 0.355954 Li\n0.896723 0.328216 0.377760 Li\n0.354510 0.357162 0.378604 Li\n0.604935 0.832122 0.378641 Li\n0.147298 0.869008 0.380878 Li\n0.387649 0.634127 0.398389 Li\n0.133319 0.137769 0.398628 Li\n0.886541 0.863272 0.600895 Li\n0.613905 0.364258 0.605585 Li\n0.388318 0.161076 0.608881 Li\n0.852045 0.133322 0.616990 Li\n0.106645 0.667789 0.620590 Li\n0.647086 0.632621 0.620601 Li\n0.872826 0.401666 0.643156 Li\n0.627977 0.901447 0.643320 Li\n0.381187 0.599053 0.659030 Li\n0.116323 0.104048 0.661155 Li\n0.619083 0.103606 0.838080 Li\n0.880401 0.601886 0.840045 Li\n0.129192 0.902230 0.855110 Li\n0.372110 0.401572 0.855612 Li\n0.353797 0.132930 0.877007 Li\n0.892787 0.167305 0.878771 Li\n0.605136 0.668236 0.878846 Li\n0.146405 0.631846 0.880085 Li\n0.112709 0.361576 0.896618 Li\n0.388244 0.863682 0.902508 Li\n0.251373 0.495014 0.009867 O\n0.247958 0.995232 0.010262 O\n0.010704 0.239671 0.036445 O\n0.487777 0.738684 0.038247 O\n0.242408 0.241577 0.238074 O\n0.464798 0.499501 0.242011 O\n0.037028 0.001490 0.243104 O\n0.252192 0.732840 0.244795 O\n0.543539 0.996839 0.251637 O\n0.753571 0.732693 0.255192 O\n0.743775 0.233264 0.256805 O\n0.963531 0.499828 0.257068 O\n0.986921 0.739248 0.462705 O\n0.516966 0.246112 0.468122 O\n0.744156 0.995023 0.489032 O\n0.752280 0.495494 0.490959 O\n0.249467 0.505224 0.509780 O\n0.242286 0.999083 0.521508 O\n0.015410 0.260088 0.536150 O\n0.486786 0.758914 0.537274 O\n0.036149 0.500099 0.742149 O\n0.464622 0.998248 0.742734 O\n0.247573 0.266886 0.743474 O\n0.254954 0.762996 0.747782 O\n0.752683 0.766758 0.755593 O\n0.748671 0.268113 0.756193 O\n0.962991 0.000000 0.757010 O\n0.536504 0.500973 0.758513 O\n0.513561 0.261153 0.961669 O\n0.987062 0.761156 0.962418 O\n0.751691 0.006962 0.988246 O\n0.749469 0.506642 0.989802 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Al",
"Li",
"O"
],
"chemical_system": "Al-Li-O",
"density": 2.2905455163050155,
"density_atomic": 0.10913269634161857,
"volume": 723.8893809853827,
"volume_molar": 5.518181958181319,
"formula_full": "Li39 Al8 O32",
"formula_reduced": "Li39Al8O32",
"formula_anonymous": "A8B32C39",
"formation_energy": -2.36444069934329,
"spacegroup": 1
},
{
"id": "oqmd-31842",
"created_at": "2022-09-04T14:48:59.694322Z",
"updated_at": "2022-09-04T14:48:59.694346Z",
"structure_string": "Li39 Al8 O32\n1.0\n8.997127 0.000739 0.004179\n0.000727 8.902961 0.008317\n0.004194 0.008479 9.045513\nAl Li O\n8 39 32\ndirect\n0.355710 0.616524 0.123566 Al\n0.143044 0.117165 0.126195 Al\n0.855359 0.615958 0.377269 Al\n0.644360 0.116531 0.378475 Al\n0.357607 0.881518 0.621458 Al\n0.143682 0.380228 0.624182 Al\n0.645906 0.383010 0.877573 Al\n0.853440 0.881213 0.880115 Al\n0.612626 0.137315 0.101974 Li\n0.886750 0.637910 0.102901 Li\n0.106861 0.834272 0.116708 Li\n0.853360 0.367642 0.118538 Li\n0.394480 0.332809 0.121557 Li\n0.644756 0.866447 0.121750 Li\n0.870746 0.097579 0.144179 Li\n0.628026 0.597795 0.145076 Li\n0.118873 0.397981 0.160256 Li\n0.379553 0.897610 0.161410 Li\n0.880509 0.896732 0.341098 Li\n0.618307 0.397297 0.341103 Li\n0.374049 0.100994 0.350937 Li\n0.127132 0.596847 0.355737 Li\n0.893014 0.332920 0.374191 Li\n0.147059 0.865009 0.378139 Li\n0.605855 0.831988 0.380689 Li\n0.352057 0.368163 0.381269 Li\n0.386557 0.637585 0.399091 Li\n0.113645 0.129755 0.415092 Li\n0.888685 0.862045 0.603017 Li\n0.610998 0.358709 0.603248 Li\n0.381378 0.161812 0.615751 Li\n0.868810 0.132224 0.618124 Li\n0.106144 0.664786 0.620357 Li\n0.646889 0.630808 0.620601 Li\n0.871219 0.403422 0.641521 Li\n0.629971 0.902321 0.645300 Li\n0.379797 0.599581 0.660625 Li\n0.130454 0.922468 0.838627 Li\n0.620261 0.102261 0.838733 Li\n0.880904 0.600658 0.841477 Li\n0.374979 0.405773 0.860489 Li\n0.899476 0.168671 0.875291 Li\n0.352686 0.134689 0.877756 Li\n0.145542 0.636091 0.880761 Li\n0.604425 0.666624 0.880838 Li\n0.115656 0.362696 0.898971 Li\n0.384258 0.862410 0.899066 Li\n0.247400 0.995827 0.011361 O\n0.251096 0.494681 0.011489 O\n0.485860 0.739371 0.037960 O\n0.013085 0.238987 0.037982 O\n0.463863 0.500474 0.243619 O\n0.251450 0.732189 0.243888 O\n0.035005 0.999677 0.244407 O\n0.247265 0.234581 0.245056 O\n0.746040 0.233396 0.255116 O\n0.962779 0.500900 0.255850 O\n0.751718 0.732967 0.256565 O\n0.537163 0.999780 0.257654 O\n0.511914 0.238297 0.462376 O\n0.986226 0.737348 0.463137 O\n0.749036 0.493525 0.488605 O\n0.750224 0.994137 0.489733 O\n0.262976 0.998497 0.498085 O\n0.247565 0.505660 0.511426 O\n0.010407 0.270936 0.531181 O\n0.489150 0.757821 0.539162 O\n0.462840 0.999126 0.742506 O\n0.252025 0.767444 0.743141 O\n0.035587 0.498380 0.744112 O\n0.255994 0.276367 0.745907 O\n0.749218 0.267362 0.755647 O\n0.751394 0.763906 0.757377 O\n0.953951 0.998128 0.758029 O\n0.537189 0.499941 0.758340 O\n0.514399 0.261489 0.963527 O\n0.985305 0.759939 0.963645 O\n0.748103 0.506455 0.990561 O\n0.748433 0.003990 0.992094 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Al",
"Li",
"O"
],
"chemical_system": "Al-Li-O",
"density": 2.2884429224517504,
"density_atomic": 0.10903251857397118,
"volume": 724.5544818484941,
"volume_molar": 5.5232519974436665,
"formula_full": "Li39 Al8 O32",
"formula_reduced": "Li39Al8O32",
"formula_anonymous": "A8B32C39",
"formation_energy": -2.36347672364709,
"spacegroup": 1
},
{
"id": "oqmd-31844",
"created_at": "2022-09-04T14:48:59.718810Z",
"updated_at": "2022-09-04T14:48:59.718843Z",
"structure_string": "Li39 Al8 O32\n1.0\n9.007455 0.000881 0.011292\n0.000872 8.893196 -0.007155\n0.011370 -0.007277 9.045936\nAl Li O\n8 39 32\ndirect\n0.356645 0.615241 0.119504 Al\n0.144025 0.116137 0.121970 Al\n0.855618 0.616206 0.376250 Al\n0.643186 0.116100 0.379315 Al\n0.140764 0.387648 0.617408 Al\n0.357538 0.881521 0.621549 Al\n0.855625 0.884704 0.876358 Al\n0.649131 0.388089 0.877377 Al\n0.887728 0.638893 0.101473 Li\n0.613523 0.137642 0.105591 Li\n0.853394 0.367955 0.119013 Li\n0.392178 0.329166 0.119769 Li\n0.646232 0.868080 0.120017 Li\n0.103821 0.830206 0.121669 Li\n0.628685 0.598824 0.142329 Li\n0.871292 0.098247 0.143635 Li\n0.118989 0.397224 0.157687 Li\n0.380459 0.895968 0.162897 Li\n0.879303 0.897435 0.339956 Li\n0.618358 0.397133 0.339981 Li\n0.126662 0.598601 0.353405 Li\n0.371535 0.098562 0.359808 Li\n0.892912 0.332559 0.377783 Li\n0.605853 0.831474 0.378638 Li\n0.145887 0.867571 0.379504 Li\n0.353067 0.366995 0.380504 Li\n0.386095 0.637001 0.396912 Li\n0.112714 0.137577 0.399279 Li\n0.889166 0.863011 0.601207 Li\n0.612694 0.361636 0.602619 Li\n0.646019 0.631079 0.619134 Li\n0.105941 0.671104 0.619311 Li\n0.853460 0.132510 0.619933 Li\n0.397459 0.168492 0.636326 Li\n0.632686 0.900355 0.642075 Li\n0.870518 0.402557 0.642652 Li\n0.378374 0.598174 0.663207 Li\n0.123333 0.104753 0.663241 Li\n0.881955 0.605326 0.839095 Li\n0.606130 0.104971 0.848061 Li\n0.129975 0.903698 0.856088 Li\n0.374934 0.379666 0.859402 Li\n0.602441 0.671893 0.876291 Li\n0.148706 0.631792 0.878663 Li\n0.890967 0.166967 0.879708 Li\n0.115455 0.358924 0.894221 Li\n0.388718 0.879467 0.901106 Li\n0.252265 0.491068 0.008703 O\n0.242203 0.981325 0.019648 O\n0.013446 0.238162 0.036211 O\n0.486626 0.740713 0.036848 O\n0.464037 0.499828 0.241232 O\n0.252224 0.730842 0.242625 O\n0.034312 0.000901 0.243538 O\n0.246521 0.232121 0.244485 O\n0.752658 0.733152 0.255240 O\n0.963715 0.500029 0.256046 O\n0.747037 0.232349 0.257459 O\n0.535396 0.999629 0.259573 O\n0.986235 0.739163 0.460900 O\n0.512184 0.238466 0.465410 O\n0.750567 0.493627 0.488166 O\n0.749913 0.993442 0.489051 O\n0.246725 0.509691 0.506422 O\n0.250019 0.003305 0.511172 O\n0.010521 0.262410 0.535174 O\n0.487480 0.757789 0.535733 O\n0.244730 0.273399 0.735904 O\n0.471478 0.994242 0.737018 O\n0.033923 0.503224 0.739398 O\n0.253169 0.767658 0.744003 O\n0.754319 0.766604 0.754226 O\n0.747498 0.267784 0.754993 O\n0.964598 0.000724 0.757055 O\n0.536297 0.498777 0.757758 O\n0.986468 0.762034 0.961826 O\n0.525836 0.269484 0.973086 O\n0.753555 0.510700 0.988500 O\n0.750216 0.005999 0.989600 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Al",
"Li",
"O"
],
"chemical_system": "Al-Li-O",
"density": 2.288224471335452,
"density_atomic": 0.10902211050341734,
"volume": 724.6236532682397,
"volume_molar": 5.5237792886161685,
"formula_full": "Li39 Al8 O32",
"formula_reduced": "Li39Al8O32",
"formula_anonymous": "A8B32C39",
"formation_energy": -2.36202650402684,
"spacegroup": 1
},
{
"id": "oqmd-31829",
"created_at": "2022-09-04T14:48:59.427945Z",
"updated_at": "2022-09-04T14:48:59.427974Z",
"structure_string": "K8 Li31 Al8 O32\n1.0\n5.534113 0.003022 0.014817\n0.008389 14.978310 -0.020643\n-3.686641 -0.016341 10.384041\nAl K Li O\n8 8 31 32\ndirect\n0.800624 0.777088 0.110793 Al\n0.385838 0.487454 0.205173 Al\n0.620458 0.980067 0.297875 Al\n0.190212 0.273023 0.378042 Al\n0.828036 0.725216 0.623291 Al\n0.384375 0.015514 0.702861 Al\n0.614109 0.513969 0.796775 Al\n0.190164 0.226824 0.878638 Al\n0.040906 0.065494 0.160565 K\n0.593731 0.199561 0.227415 K\n0.397490 0.703219 0.273358 K\n0.968062 0.588233 0.350939 K\n0.032091 0.435494 0.655681 K\n0.589566 0.300160 0.724866 K\n0.406598 0.798056 0.766001 K\n0.961581 0.931257 0.835736 K\n0.517554 0.656898 0.000628 Li\n0.624929 0.929950 0.017965 Li\n0.896078 0.235301 0.021537 Li\n0.060703 0.577657 0.042088 Li\n0.692943 0.485416 0.080175 Li\n0.328513 0.882410 0.126088 Li\n0.214886 0.340223 0.128461 Li\n0.911477 0.379595 0.230197 Li\n0.087500 0.873723 0.271866 Li\n0.672175 0.383842 0.371528 Li\n0.806441 0.829625 0.386480 Li\n0.313336 0.979660 0.423113 Li\n0.938055 0.075811 0.457277 Li\n0.363924 0.431448 0.475853 Li\n0.479155 0.153952 0.495319 Li\n0.499453 0.835778 0.503974 Li\n0.895700 0.265116 0.520143 Li\n0.624166 0.572531 0.524868 Li\n0.063813 0.923567 0.542794 Li\n0.693946 0.011937 0.576310 Li\n0.325387 0.621572 0.625347 Li\n0.213378 0.161414 0.625877 Li\n0.908046 0.124064 0.725826 Li\n0.094990 0.621271 0.777783 Li\n0.784752 0.660373 0.869607 Li\n0.671603 0.117977 0.870640 Li\n0.308874 0.514442 0.925264 Li\n0.936518 0.423272 0.959912 Li\n0.106072 0.765747 0.975082 Li\n0.371677 0.071247 0.979366 Li\n0.481633 0.343548 0.999035 Li\n0.465449 0.792708 0.036683 O\n0.896164 0.683013 0.043461 O\n0.965060 0.870827 0.075260 O\n0.436810 0.568793 0.100478 O\n0.502340 0.003948 0.133210 O\n0.050692 0.465838 0.141997 O\n0.551637 0.390640 0.177144 O\n0.064943 0.259508 0.207999 O\n0.909130 0.761834 0.277207 O\n0.450732 0.884290 0.324046 O\n0.956110 0.961589 0.361543 O\n0.504004 0.507733 0.370048 O\n0.563467 0.063014 0.399714 O\n0.035519 0.367277 0.420381 O\n0.528355 0.287591 0.448498 O\n0.100776 0.180188 0.449750 O\n0.496381 0.703331 0.548757 O\n0.887365 0.827235 0.563247 O\n0.968909 0.624629 0.592398 O\n0.435478 0.932025 0.601003 O\n0.498007 0.491811 0.632547 O\n0.050263 0.037422 0.639652 O\n0.551456 0.111199 0.674838 O\n0.066540 0.241575 0.708590 O\n0.944551 0.739814 0.793974 O\n0.449834 0.610881 0.824024 O\n0.949837 0.535051 0.861390 O\n0.500981 0.996025 0.867742 O\n0.561962 0.433173 0.901477 O\n0.035177 0.131896 0.918915 O\n0.527906 0.211106 0.951289 O\n0.102446 0.319294 0.952571 O\n",
"nsites": 79,
"nelements": 4,
"elements": [
"Al",
"K",
"Li",
"O"
],
"chemical_system": "Al-K-Li-O",
"density": 2.4203456761882536,
"density_atomic": 0.09169342481632765,
"volume": 861.5666843969017,
"volume_molar": 6.567690946284352,
"formula_full": "K8 Li31 Al8 O32",
"formula_reduced": "K8Li31Al8O32",
"formula_anonymous": "A8B8C31D32",
"formation_energy": -2.28175508605215,
"spacegroup": 1
},
{
"id": "oqmd-31825",
"created_at": "2022-09-04T14:48:59.618276Z",
"updated_at": "2022-09-04T14:48:59.618305Z",
"structure_string": "K8 Li31 Al8 O32\n1.0\n5.515188 -0.013818 0.010974\n-0.037533 15.042855 -0.022619\n-3.681112 -0.006424 10.348054\nAl K Li O\n8 8 31 32\ndirect\n0.826957 0.778079 0.126866 Al\n0.385820 0.485958 0.204848 Al\n0.614815 0.984970 0.295463 Al\n0.185609 0.275067 0.379822 Al\n0.817507 0.725968 0.620442 Al\n0.379295 0.013990 0.700551 Al\n0.618517 0.516129 0.798564 Al\n0.184577 0.226012 0.879504 Al\n0.030108 0.056122 0.157998 K\n0.585810 0.199129 0.226436 K\n0.418952 0.704586 0.278764 K\n0.964111 0.566216 0.341965 K\n0.037853 0.433758 0.660256 K\n0.588855 0.299347 0.727582 K\n0.416244 0.800725 0.772736 K\n0.957155 0.935147 0.837359 K\n0.531269 0.659288 0.009286 Li\n0.612329 0.925581 0.018908 Li\n0.893305 0.233140 0.023929 Li\n0.066364 0.579469 0.044413 Li\n0.690670 0.483058 0.077711 Li\n0.212537 0.339118 0.127927 Li\n0.318726 0.879677 0.139490 Li\n0.907685 0.377165 0.227373 Li\n0.826281 0.844158 0.365741 Li\n0.669265 0.382398 0.371496 Li\n0.297654 0.967133 0.408495 Li\n0.937019 0.077692 0.456772 Li\n0.111512 0.733018 0.477885 Li\n0.371940 0.429675 0.479816 Li\n0.465143 0.154064 0.493524 Li\n0.528170 0.842038 0.499152 Li\n0.630994 0.571778 0.522665 Li\n0.888439 0.264499 0.523250 Li\n0.057276 0.925094 0.540149 Li\n0.677141 0.017001 0.570220 Li\n0.209560 0.160884 0.628083 Li\n0.334401 0.617875 0.630990 Li\n0.902980 0.122961 0.725507 Li\n0.096481 0.624726 0.774595 Li\n0.664121 0.117176 0.870116 Li\n0.791215 0.663219 0.873616 Li\n0.313817 0.519643 0.925323 Li\n0.939990 0.423723 0.959041 Li\n0.111761 0.768980 0.977044 Li\n0.364638 0.070500 0.977213 Li\n0.476779 0.343945 0.996472 Li\n0.909661 0.685273 0.049719 O\n0.482942 0.791265 0.054621 O\n0.956914 0.869390 0.065182 O\n0.444168 0.567702 0.102595 O\n0.492513 0.005178 0.130036 O\n0.049366 0.465140 0.140794 O\n0.549608 0.389685 0.175880 O\n0.061796 0.260262 0.209569 O\n0.932959 0.747892 0.292266 O\n0.471378 0.885038 0.325459 O\n0.948076 0.969481 0.361853 O\n0.503542 0.505101 0.370375 O\n0.546424 0.065892 0.395428 O\n0.034036 0.370280 0.420244 O\n0.524480 0.289585 0.451889 O\n0.092502 0.183998 0.452816 O\n0.907667 0.817163 0.545409 O\n0.479331 0.709753 0.550263 O\n0.971216 0.630630 0.582577 O\n0.436215 0.931458 0.598595 O\n0.500673 0.495283 0.633343 O\n0.043109 0.035990 0.638447 O\n0.545244 0.110739 0.674192 O\n0.061312 0.240897 0.709186 O\n0.942405 0.742295 0.790777 O\n0.455039 0.612561 0.827254 O\n0.954691 0.537731 0.861970 O\n0.492693 0.993947 0.866142 O\n0.560588 0.434344 0.900365 O\n0.029032 0.131049 0.919112 O\n0.523225 0.210919 0.950815 O\n0.096650 0.318506 0.951970 O\n",
"nsites": 79,
"nelements": 4,
"elements": [
"Al",
"K",
"Li",
"O"
],
"chemical_system": "Al-K-Li-O",
"density": 2.427243911009666,
"density_atomic": 0.09195476053468617,
"volume": 859.1181091728306,
"volume_molar": 6.549025547979536,
"formula_full": "K8 Li31 Al8 O32",
"formula_reduced": "K8Li31Al8O32",
"formula_anonymous": "A8B8C31D32",
"formation_energy": -2.28296457060912,
"spacegroup": 1
},
{
"id": "oqmd-31841",
"created_at": "2022-09-04T14:48:59.737966Z",
"updated_at": "2022-09-04T14:48:59.737994Z",
"structure_string": "Li39 Al8 O32\n1.0\n8.995181 -0.002337 0.014896\n-0.002327 8.890226 -0.008595\n0.014978 -0.008719 9.049193\nAl Li O\n8 39 32\ndirect\n0.357206 0.617440 0.123619 Al\n0.141043 0.117559 0.128979 Al\n0.639751 0.116809 0.378003 Al\n0.856603 0.614294 0.378339 Al\n0.143966 0.383859 0.622898 Al\n0.360607 0.878238 0.626843 Al\n0.857399 0.884454 0.875827 Al\n0.644442 0.383948 0.878444 Al\n0.610437 0.137318 0.102539 Li\n0.888043 0.639111 0.102891 Li\n0.108451 0.830284 0.118323 Li\n0.397551 0.335660 0.118646 Li\n0.852558 0.368409 0.120214 Li\n0.646757 0.867865 0.121106 Li\n0.868939 0.097928 0.141124 Li\n0.628699 0.598804 0.144652 Li\n0.121754 0.399603 0.158297 Li\n0.379656 0.898944 0.162267 Li\n0.878095 0.898231 0.340985 Li\n0.620368 0.398377 0.342252 Li\n0.128087 0.602897 0.356609 Li\n0.359065 0.100823 0.358890 Li\n0.912865 0.315368 0.369527 Li\n0.351028 0.367513 0.378987 Li\n0.142875 0.880894 0.380772 Li\n0.604980 0.832095 0.381074 Li\n0.387250 0.638983 0.398899 Li\n0.885336 0.861759 0.600956 Li\n0.611140 0.361303 0.603073 Li\n0.850518 0.133832 0.618232 Li\n0.391674 0.162015 0.619987 Li\n0.106741 0.669197 0.621191 Li\n0.647605 0.631634 0.622498 Li\n0.113391 0.097852 0.629969 Li\n0.869582 0.405100 0.643248 Li\n0.629755 0.900500 0.646066 Li\n0.381870 0.598532 0.659904 Li\n0.620023 0.102504 0.841471 Li\n0.881152 0.602610 0.841732 Li\n0.130296 0.907309 0.852103 Li\n0.372632 0.401093 0.855603 Li\n0.898784 0.169535 0.875711 Li\n0.605906 0.668707 0.879881 Li\n0.351391 0.132244 0.880275 Li\n0.148211 0.633087 0.881587 Li\n0.114136 0.360850 0.898615 Li\n0.387093 0.861620 0.902104 Li\n0.253155 0.495141 0.010085 O\n0.246958 0.994773 0.013662 O\n0.488251 0.740107 0.038895 O\n0.012438 0.240265 0.039268 O\n0.028734 0.993508 0.234128 O\n0.252224 0.237568 0.236325 O\n0.465055 0.501153 0.243158 O\n0.253155 0.734777 0.244310 O\n0.745682 0.232197 0.256292 O\n0.753009 0.732059 0.257312 O\n0.965502 0.499617 0.257403 O\n0.533198 0.000125 0.258306 O\n0.985846 0.739537 0.463310 O\n0.510486 0.240419 0.463947 O\n0.745145 0.994108 0.489842 O\n0.748873 0.495525 0.491275 O\n0.247574 0.507499 0.510380 O\n0.259821 0.997924 0.513685 O\n0.490552 0.756306 0.540426 O\n0.006734 0.266488 0.544864 O\n0.248221 0.266732 0.742195 O\n0.036743 0.500826 0.744813 O\n0.466130 0.997046 0.746897 O\n0.255408 0.763725 0.748251 O\n0.964457 0.999875 0.753420 O\n0.747048 0.267220 0.756223 O\n0.754037 0.765830 0.756464 O\n0.536531 0.500021 0.759124 O\n0.987541 0.761452 0.961414 O\n0.513675 0.260421 0.962220 O\n0.750806 0.005650 0.988346 O\n0.749311 0.506612 0.990377 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Al",
"Li",
"O"
],
"chemical_system": "Al-Li-O",
"density": 2.2912907260684636,
"density_atomic": 0.10916820174862588,
"volume": 723.653946246251,
"volume_molar": 5.516387247878984,
"formula_full": "Li39 Al8 O32",
"formula_reduced": "Li39Al8O32",
"formula_anonymous": "A8B32C39",
"formation_energy": -2.36394069984962,
"spacegroup": 1
},
{
"id": "oqmd-31802",
"created_at": "2022-09-04T14:49:00.294768Z",
"updated_at": "2022-09-04T14:49:00.294785Z",
"structure_string": "Li39 Ga8 O32\n1.0\n9.085122 0.001927 0.008924\n0.001930 9.034806 -0.012843\n0.008949 -0.012878 9.099112\nGa Li O\n8 39 32\ndirect\n0.355444 0.619477 0.116580 Ga\n0.142723 0.118591 0.127316 Ga\n0.641889 0.118947 0.384817 Ga\n0.855047 0.616056 0.385136 Ga\n0.145610 0.380411 0.614308 Ga\n0.357660 0.877399 0.619047 Ga\n0.856212 0.882694 0.883357 Ga\n0.646095 0.382430 0.885152 Ga\n0.607011 0.140176 0.108463 Li\n0.891314 0.641906 0.109084 Li\n0.395570 0.340723 0.116543 Li\n0.111994 0.834969 0.116822 Li\n0.854133 0.373952 0.120969 Li\n0.646354 0.873535 0.122020 Li\n0.869242 0.104221 0.144482 Li\n0.628843 0.605368 0.147382 Li\n0.121782 0.398534 0.155660 Li\n0.379967 0.898918 0.159623 Li\n0.877659 0.897069 0.343955 Li\n0.620560 0.398082 0.344500 Li\n0.127696 0.609316 0.353897 Li\n0.361046 0.107663 0.355964 Li\n0.907976 0.322867 0.370778 Li\n0.352677 0.373356 0.378060 Li\n0.140674 0.886159 0.379881 Li\n0.606925 0.836510 0.381195 Li\n0.390006 0.641362 0.392704 Li\n0.888678 0.859757 0.607112 Li\n0.609204 0.359216 0.608604 Li\n0.851920 0.127191 0.619691 Li\n0.390389 0.158834 0.620470 Li\n0.108588 0.663927 0.620768 Li\n0.646759 0.626465 0.622459 Li\n0.114066 0.099624 0.633077 Li\n0.870276 0.397936 0.646103 Li\n0.628747 0.894348 0.648446 Li\n0.381670 0.599906 0.656856 Li\n0.619274 0.103069 0.843773 Li\n0.881212 0.602578 0.843869 Li\n0.372762 0.394105 0.851185 Li\n0.129839 0.900220 0.851464 Li\n0.896304 0.164631 0.877482 Li\n0.147287 0.626493 0.879430 Li\n0.608273 0.664697 0.879810 Li\n0.350737 0.126459 0.881318 Li\n0.111144 0.356832 0.892175 Li\n0.389620 0.860060 0.896009 Li\n0.251095 0.487341 0.002631 O\n0.249363 0.987052 0.008643 O\n0.494864 0.746629 0.034330 O\n0.006509 0.245979 0.035952 O\n0.022838 0.990415 0.233605 O\n0.255781 0.245767 0.237846 O\n0.469915 0.500864 0.243575 O\n0.252593 0.741610 0.246960 O\n0.746584 0.239763 0.253838 O\n0.751343 0.739019 0.255376 O\n0.969967 0.499641 0.256413 O\n0.529786 0.999734 0.257497 O\n0.992581 0.746364 0.467537 O\n0.504341 0.247276 0.468776 O\n0.747867 0.986354 0.496480 O\n0.746825 0.487141 0.497467 O\n0.250408 0.514860 0.504207 O\n0.255984 0.007622 0.506486 O\n0.496322 0.750214 0.535221 O\n0.000860 0.257879 0.539592 O\n0.248588 0.258967 0.744145 O\n0.032268 0.500553 0.744474 O\n0.469718 0.997977 0.747750 O\n0.253766 0.757199 0.749703 O\n0.968795 0.000104 0.753470 O\n0.752959 0.759216 0.754353 O\n0.748436 0.260282 0.754465 O\n0.532432 0.500737 0.758017 O\n0.507077 0.254055 0.965494 O\n0.994037 0.753547 0.965566 O\n0.747558 0.013416 0.994717 O\n0.751917 0.514851 0.996581 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Ga",
"Li",
"O"
],
"chemical_system": "Ga-Li-O",
"density": 2.980278809167513,
"density_atomic": 0.10577421198732016,
"volume": 746.8739167678247,
"volume_molar": 5.693392223732107,
"formula_full": "Li39 Ga8 O32",
"formula_reduced": "Li39(GaO4)8",
"formula_anonymous": "A8B32C39",
"formation_energy": -2.07945007529266,
"spacegroup": 1
},
{
"id": "oqmd-31798",
"created_at": "2022-09-04T14:49:00.322156Z",
"updated_at": "2022-09-04T14:49:00.322180Z",
"structure_string": "Li39 Ga8 O32\n1.0\n9.075186 -0.004306 0.007127\n-0.004296 9.032320 0.012536\n0.007143 0.012623 9.106470\nGa Li O\n8 39 32\ndirect\n0.147150 0.118875 0.114872 Ga\n0.354481 0.617893 0.116237 Ga\n0.646353 0.117440 0.383869 Ga\n0.854132 0.618076 0.384289 Ga\n0.357601 0.891224 0.616044 Ga\n0.146885 0.380474 0.616656 Ga\n0.855089 0.881912 0.883284 Ga\n0.644739 0.382492 0.883975 Ga\n0.608305 0.139820 0.107586 Li\n0.890606 0.640934 0.108038 Li\n0.108654 0.836805 0.118341 Li\n0.853814 0.374355 0.120448 Li\n0.645474 0.873728 0.121036 Li\n0.392782 0.334421 0.121661 Li\n0.872520 0.104320 0.145297 Li\n0.628323 0.605313 0.146047 Li\n0.119229 0.396539 0.159166 Li\n0.379850 0.899788 0.159185 Li\n0.880968 0.897073 0.342523 Li\n0.620921 0.399071 0.342827 Li\n0.127727 0.603102 0.353882 Li\n0.371666 0.107600 0.367957 Li\n0.143557 0.869618 0.375522 Li\n0.607876 0.836728 0.379404 Li\n0.892357 0.336624 0.379510 Li\n0.354196 0.372502 0.382189 Li\n0.108079 0.137865 0.391789 Li\n0.389868 0.642333 0.393061 Li\n0.893466 0.859898 0.607567 Li\n0.597865 0.350393 0.612136 Li\n0.111157 0.664924 0.618342 Li\n0.645010 0.624368 0.620075 Li\n0.856429 0.127270 0.620988 Li\n0.870707 0.395723 0.645536 Li\n0.631055 0.892943 0.645633 Li\n0.125444 0.103224 0.655979 Li\n0.381422 0.607786 0.657805 Li\n0.620637 0.103212 0.842222 Li\n0.880951 0.602644 0.843162 Li\n0.128501 0.896966 0.851722 Li\n0.369970 0.393138 0.852845 Li\n0.356790 0.126515 0.864551 Li\n0.147294 0.628510 0.877491 Li\n0.607242 0.664910 0.878639 Li\n0.894145 0.164227 0.878860 Li\n0.387938 0.856789 0.894759 Li\n0.105249 0.364965 0.895686 Li\n0.251892 0.986824 0.002674 O\n0.247538 0.486890 0.005058 O\n0.493987 0.745469 0.034416 O\n0.005925 0.246542 0.034724 O\n0.030888 0.998381 0.240285 O\n0.468676 0.499711 0.243970 O\n0.250595 0.739050 0.244998 O\n0.247680 0.239410 0.247704 O\n0.749410 0.240063 0.252558 O\n0.751856 0.740267 0.253490 O\n0.968088 0.499687 0.256188 O\n0.531447 0.999302 0.257772 O\n0.509268 0.248326 0.458938 O\n0.993119 0.744755 0.466152 O\n0.747831 0.485164 0.495316 O\n0.753696 0.986440 0.495331 O\n0.239201 0.005226 0.500186 O\n0.252001 0.514720 0.505697 O\n0.007491 0.255116 0.531940 O\n0.493609 0.756886 0.532934 O\n0.031355 0.502469 0.742294 O\n0.253029 0.762986 0.745632 O\n0.476207 0.990106 0.750905 O\n0.754261 0.758285 0.752984 O\n0.748715 0.260433 0.754671 O\n0.969357 0.001163 0.756204 O\n0.236577 0.261534 0.756272 O\n0.529700 0.501246 0.757409 O\n0.994025 0.753860 0.966100 O\n0.505984 0.253781 0.966112 O\n0.751286 0.514533 0.995637 O\n0.749453 0.013485 0.995839 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Ga",
"Li",
"O"
],
"chemical_system": "Ga-Li-O",
"density": 2.9819508264615604,
"density_atomic": 0.10583355419086267,
"volume": 746.4551351788638,
"volume_molar": 5.690199867179678,
"formula_full": "Li39 Ga8 O32",
"formula_reduced": "Li39(GaO4)8",
"formula_anonymous": "A8B32C39",
"formation_energy": -2.07834746428,
"spacegroup": 1
},
{
"id": "oqmd-31799",
"created_at": "2022-09-04T14:49:00.001422Z",
"updated_at": "2022-09-04T14:49:00.001453Z",
"structure_string": "Li39 Ga8 O32\n1.0\n9.083999 0.002670 0.013247\n0.002652 9.039820 0.000126\n0.013287 0.000131 9.100571\nGa Li O\n8 39 32\ndirect\n0.148158 0.118295 0.112169 Ga\n0.355463 0.618200 0.112383 Ga\n0.854256 0.618358 0.383830 Ga\n0.644293 0.118256 0.386530 Ga\n0.142930 0.384337 0.611155 Ga\n0.356127 0.880457 0.614541 Ga\n0.853813 0.882351 0.883611 Ga\n0.649237 0.385064 0.884781 Ga\n0.890662 0.640859 0.107893 Li\n0.610527 0.140532 0.111345 Li\n0.854159 0.373501 0.120249 Li\n0.390945 0.335196 0.120315 Li\n0.645516 0.874228 0.121202 Li\n0.106082 0.835325 0.121308 Li\n0.628433 0.605787 0.145689 Li\n0.872811 0.105344 0.146641 Li\n0.118800 0.396288 0.155874 Li\n0.380982 0.896380 0.160054 Li\n0.880502 0.897858 0.341883 Li\n0.618099 0.396966 0.342605 Li\n0.126920 0.605170 0.351197 Li\n0.371276 0.105380 0.357261 Li\n0.145884 0.873818 0.378256 Li\n0.890656 0.336969 0.378422 Li\n0.608360 0.836471 0.379187 Li\n0.353604 0.372984 0.379365 Li\n0.389652 0.639840 0.391107 Li\n0.109154 0.140250 0.391359 Li\n0.892756 0.860677 0.607254 Li\n0.609228 0.358839 0.609027 Li\n0.109036 0.665720 0.618831 Li\n0.645395 0.624970 0.620712 Li\n0.853585 0.126459 0.621075 Li\n0.394200 0.163654 0.635473 Li\n0.632544 0.892305 0.644270 Li\n0.870911 0.395116 0.646021 Li\n0.121763 0.104191 0.659716 Li\n0.379133 0.599654 0.660017 Li\n0.881737 0.604453 0.842606 Li\n0.605064 0.105627 0.849940 Li\n0.129684 0.896713 0.852898 Li\n0.374415 0.375355 0.856880 Li\n0.604951 0.666293 0.877161 Li\n0.147872 0.626506 0.877728 Li\n0.888674 0.162445 0.880074 Li\n0.111448 0.357400 0.889015 Li\n0.392255 0.877534 0.894821 Li\n0.249379 0.484419 0.003036 O\n0.245527 0.973849 0.012051 O\n0.006828 0.245277 0.031988 O\n0.493590 0.748146 0.032559 O\n0.468518 0.500153 0.242399 O\n0.031210 0.000525 0.243100 O\n0.251634 0.738448 0.245262 O\n0.247624 0.239631 0.245876 O\n0.752191 0.740500 0.253502 O\n0.747903 0.239859 0.255439 O\n0.968279 0.499588 0.255918 O\n0.531114 0.999353 0.259073 O\n0.993401 0.746167 0.465243 O\n0.505068 0.245658 0.469852 O\n0.747995 0.485774 0.494766 O\n0.752833 0.985438 0.494846 O\n0.249869 0.516863 0.500984 O\n0.246976 0.011622 0.504461 O\n0.003962 0.255082 0.530894 O\n0.494645 0.751108 0.531342 O\n0.476372 0.995222 0.736241 O\n0.243727 0.264726 0.739895 O\n0.029844 0.503061 0.740616 O\n0.252285 0.760483 0.745290 O\n0.753848 0.758540 0.752309 O\n0.747770 0.260270 0.753246 O\n0.968387 0.000628 0.756313 O\n0.531609 0.499287 0.757224 O\n0.992949 0.754242 0.966266 O\n0.516274 0.261166 0.975584 O\n0.754722 0.517620 0.995737 O\n0.747845 0.013732 0.996215 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Ga",
"Li",
"O"
],
"chemical_system": "Ga-Li-O",
"density": 2.9785140073455443,
"density_atomic": 0.10571157673270629,
"volume": 747.3164476559931,
"volume_molar": 5.696765620313371,
"formula_full": "Li39 Ga8 O32",
"formula_reduced": "Li39(GaO4)8",
"formula_anonymous": "A8B32C39",
"formation_energy": -2.07738366516608,
"spacegroup": 1
},
{
"id": "oqmd-31800",
"created_at": "2022-09-04T14:49:00.027027Z",
"updated_at": "2022-09-04T14:49:00.027059Z",
"structure_string": "Li39 Ga8 O32\n1.0\n9.068102 0.010288 0.002497\n0.010278 9.039246 -0.005844\n0.002526 -0.005892 9.111483\nGa Li O\n8 39 32\ndirect\n0.355412 0.619021 0.115899 Ga\n0.145482 0.120399 0.116422 Ga\n0.630547 0.118664 0.384109 Ga\n0.855593 0.618635 0.385082 Ga\n0.146197 0.381623 0.614670 Ga\n0.354917 0.878535 0.617248 Ga\n0.855118 0.880900 0.883408 Ga\n0.645461 0.381826 0.885687 Ga\n0.609491 0.139534 0.107067 Li\n0.891118 0.640200 0.107623 Li\n0.647510 0.870239 0.117187 Li\n0.108762 0.837984 0.119788 Li\n0.393446 0.335589 0.121101 Li\n0.850721 0.372251 0.122586 Li\n0.628558 0.603995 0.147437 Li\n0.870403 0.104850 0.149465 Li\n0.116253 0.401642 0.152045 Li\n0.376351 0.906342 0.167499 Li\n0.879816 0.901572 0.343720 Li\n0.619486 0.399001 0.346984 Li\n0.129153 0.603659 0.352861 Li\n0.354798 0.363109 0.378020 Li\n0.892637 0.332013 0.378662 Li\n0.608855 0.836509 0.379498 Li\n0.146680 0.874541 0.379625 Li\n0.391011 0.636664 0.392257 Li\n0.129703 0.140900 0.392967 Li\n0.889307 0.861160 0.606538 Li\n0.385529 0.157482 0.607918 Li\n0.612536 0.362315 0.612493 Li\n0.851592 0.127424 0.617367 Li\n0.109054 0.663933 0.620394 Li\n0.646235 0.627207 0.621606 Li\n0.627639 0.895264 0.645824 Li\n0.873650 0.394723 0.646633 Li\n0.381710 0.600211 0.656906 Li\n0.115631 0.104469 0.659243 Li\n0.618738 0.103427 0.840889 Li\n0.880840 0.601834 0.842714 Li\n0.129138 0.895614 0.852158 Li\n0.372455 0.394464 0.852542 Li\n0.354274 0.126656 0.875682 Li\n0.146146 0.626521 0.878756 Li\n0.607886 0.663649 0.879004 Li\n0.891056 0.162291 0.879907 Li\n0.109719 0.358683 0.890844 Li\n0.390901 0.860516 0.895127 Li\n0.248952 0.487245 0.003092 O\n0.250594 0.987435 0.003754 O\n0.004153 0.246857 0.032309 O\n0.494674 0.745125 0.033284 O\n0.242995 0.249522 0.240718 O\n0.469372 0.498938 0.242738 O\n0.033101 0.001097 0.244009 O\n0.251452 0.739789 0.246116 O\n0.540225 0.994226 0.250221 O\n0.753661 0.739766 0.253170 O\n0.743593 0.240014 0.255072 O\n0.967443 0.499017 0.256607 O\n0.993824 0.746486 0.467135 O\n0.510232 0.254863 0.474451 O\n0.745967 0.987825 0.494678 O\n0.750706 0.487765 0.497881 O\n0.251999 0.513094 0.503489 O\n0.239754 0.007459 0.514867 O\n0.008592 0.253151 0.531903 O\n0.493845 0.751999 0.532452 O\n0.032037 0.500624 0.742960 O\n0.468951 0.998899 0.743026 O\n0.247999 0.259716 0.745389 O\n0.253963 0.756458 0.748867 O\n0.752199 0.759483 0.753471 O\n0.750041 0.261138 0.755192 O\n0.966986 0.000174 0.755964 O\n0.532455 0.501448 0.758398 O\n0.506544 0.253707 0.966118 O\n0.994083 0.753668 0.966849 O\n0.749685 0.014178 0.994476 O\n0.752100 0.514450 0.996333 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Ga",
"Li",
"O"
],
"chemical_system": "Ga-Li-O",
"density": 2.9803501538634705,
"density_atomic": 0.10577674410913748,
"volume": 746.8560378308678,
"volume_molar": 5.693255933257432,
"formula_full": "Li39 Ga8 O32",
"formula_reduced": "Li39(GaO4)8",
"formula_anonymous": "A8B32C39",
"formation_energy": -2.07936386516608,
"spacegroup": 1
},
{
"id": "oqmd-31837",
"created_at": "2022-09-04T14:49:00.730477Z",
"updated_at": "2022-09-04T14:49:00.730504Z",
"structure_string": "Li39 Fe8 O32\n1.0\n9.095984 0.003461 0.003510\n0.003443 9.088528 0.001185\n0.003523 0.001170 9.076632\nFe Li O\n8 39 32\ndirect\n0.388342 0.647027 0.119216 Fe\n0.112065 0.147570 0.121665 Fe\n0.613816 0.147474 0.380125 Fe\n0.885604 0.646350 0.381285 Fe\n0.114392 0.352449 0.620485 Fe\n0.382017 0.856681 0.623758 Fe\n0.612507 0.353130 0.880103 Fe\n0.881543 0.855256 0.880820 Fe\n0.159031 0.870672 0.095160 Li\n0.842413 0.618381 0.102596 Li\n0.654384 0.118291 0.103032 Li\n0.351368 0.370543 0.106890 Li\n0.879388 0.353747 0.123745 Li\n0.621623 0.852552 0.125660 Li\n0.109424 0.611133 0.142194 Li\n0.388585 0.107308 0.142201 Li\n0.617631 0.389635 0.160278 Li\n0.885010 0.889800 0.161137 Li\n0.118273 0.388859 0.339475 Li\n0.380720 0.889488 0.339526 Li\n0.609842 0.607634 0.356407 Li\n0.890642 0.109536 0.357688 Li\n0.118291 0.850002 0.371738 Li\n0.379824 0.353691 0.376620 Li\n0.851872 0.371669 0.393014 Li\n0.647460 0.874563 0.393742 Li\n0.341097 0.617206 0.396886 Li\n0.155575 0.118043 0.398411 Li\n0.143560 0.624844 0.599896 Li\n0.842749 0.883048 0.602942 Li\n0.654799 0.383639 0.603200 Li\n0.355072 0.131634 0.605190 Li\n0.880896 0.146980 0.624428 Li\n0.618860 0.647967 0.626777 Li\n0.106128 0.889540 0.643272 Li\n0.389845 0.392828 0.645622 Li\n0.622954 0.112458 0.657015 Li\n0.880496 0.611570 0.661718 Li\n0.117976 0.109341 0.842315 Li\n0.389611 0.623263 0.843775 Li\n0.891726 0.391283 0.857359 Li\n0.594712 0.886137 0.864028 Li\n0.122409 0.648815 0.874937 Li\n0.377386 0.128781 0.877088 Li\n0.653542 0.624985 0.891747 Li\n0.851690 0.130097 0.893179 Li\n0.158792 0.381571 0.897811 Li\n0.238711 0.038437 0.003921 O\n0.501894 0.244138 0.015227 O\n0.996039 0.748828 0.015908 O\n0.254412 0.747554 0.244566 O\n0.247342 0.246503 0.246731 O\n0.466807 0.503588 0.250552 O\n0.034550 0.003465 0.251968 O\n0.966992 0.504507 0.252997 O\n0.531795 0.003378 0.254663 O\n0.746685 0.247692 0.256265 O\n0.752186 0.748095 0.259874 O\n0.002987 0.247414 0.482907 O\n0.488988 0.755590 0.491522 O\n0.743329 0.032379 0.497779 O\n0.755085 0.533123 0.499255 O\n0.242214 0.467348 0.501151 O\n0.261539 0.963998 0.508180 O\n0.996409 0.753291 0.517682 O\n0.503860 0.253791 0.518196 O\n0.258755 0.749292 0.724335 O\n0.469532 0.992347 0.729802 O\n0.247573 0.249982 0.742386 O\n0.034288 0.498305 0.746554 O\n0.966069 0.996306 0.752451 O\n0.533456 0.497430 0.752456 O\n0.751447 0.753982 0.755131 O\n0.746821 0.253657 0.755410 O\n0.002291 0.254052 0.982381 O\n0.510890 0.740676 0.988363 O\n0.743097 0.466079 0.998802 O\n0.258581 0.534433 0.999089 O\n0.754756 0.970517 0.999178 O\n",
"nsites": 79,
"nelements": 3,
"elements": [
"Fe",
"Li",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.720749358229436,
"density_atomic": 0.10528324473263057,
"volume": 750.3568131911443,
"volume_molar": 5.719942214255817,
"formula_full": "Li39 Fe8 O32",
"formula_reduced": "Li39(FeO4)8",
"formula_anonymous": "A8B32C39",
"formation_energy": -1.96679955905613,
"spacegroup": 1
}
]
}