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{
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{
"id": "mp-760808",
"created_at": "2022-09-04T14:42:16.543234Z",
"structure_string": "Li10 V6 Cu2 P8 O32\n1.0\n6.105801 4.880277 0.000000\n-6.105801 4.880277 0.000000\n0.000000 0.046605 10.618292\nLi V Cu P O\n10 6 2 8 32\ndirect\n0.039851 0.300793 0.861597 Li\n0.260460 0.528721 0.507014 Li\n0.528721 0.260460 0.507014 Li\n0.755039 0.506237 0.995458 Li\n0.506237 0.755039 0.995458 Li\n0.300793 0.039851 0.861597 Li\n0.165675 0.165675 0.075784 Li\n0.724707 0.976790 0.461366 Li\n0.976790 0.724707 0.461366 Li\n0.881363 0.881363 0.674302 Li\n0.367881 0.367881 0.227859 V\n0.861573 0.355129 0.267113 V\n0.355129 0.861573 0.267113 V\n0.851086 0.851086 0.212027 V\n0.143112 0.645463 0.776975 V\n0.645463 0.143112 0.776975 V\n0.199248 0.199248 0.645780 Cu\n0.619073 0.619073 0.717292 Cu\n0.083067 0.565739 0.088649 P\n0.427736 0.427736 0.916811 P\n0.574270 0.574270 0.403719 P\n0.064114 0.064114 0.395048 P\n0.431367 0.920460 0.592309 P\n0.920460 0.431367 0.592309 P\n0.565739 0.083067 0.088649 P\n0.919058 0.919058 0.914741 P\n0.268323 0.268323 0.915967 O\n0.081955 0.391585 0.670999 O\n0.113078 0.392989 0.156502 O\n0.026241 0.518481 0.949887 O\n0.486851 0.486851 0.052757 O\n0.383642 0.590212 0.848612 O\n0.078991 0.880030 0.838544 O\n0.590212 0.383642 0.848612 O\n0.240417 0.718980 0.100258 O\n0.611733 0.406190 0.337164 O\n0.406190 0.611733 0.337164 O\n0.098513 0.895561 0.326102 O\n0.279254 0.759916 0.603949 O\n0.759916 0.279254 0.603949 O\n0.518863 0.518863 0.539730 O\n0.002632 0.002632 0.530216 O\n0.982356 0.468798 0.453494 O\n0.468798 0.982356 0.453494 O\n0.220742 0.220742 0.390484 O\n0.732290 0.732290 0.392191 O\n0.761645 0.761645 0.914380 O\n0.610634 0.899478 0.649900 O\n0.391585 0.081955 0.670999 O\n0.899478 0.610634 0.649900 O\n0.599521 0.913214 0.157405 O\n0.392989 0.113078 0.156502 O\n0.913214 0.599521 0.157405 O\n0.518481 0.026241 0.949887 O\n0.977739 0.977739 0.049681 O\n0.880030 0.078991 0.838544 O\n0.718980 0.240417 0.100258 O\n0.895561 0.098513 0.326102 O\n",
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"formula_full": "Li10 V6 Cu2 P8 O32",
"formula_reduced": "Li5V3Cu(PO4)4",
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"updated_at": "2021-11-28T01:35:46.279000Z",
"spacegroup": 8
},
{
"id": "mp-771157",
"created_at": "2022-09-04T14:44:51.057858Z",
"structure_string": "Li4 V3 Cu3 Sb2 O16\n1.0\n6.056119 0.021193 0.156575\n-3.008415 5.107510 -0.018752\n0.259055 0.111427 9.812212\nLi V Cu Sb O\n4 3 3 2 16\ndirect\n0.330463 0.659351 0.910659 Li\n0.988685 0.995479 0.992422 Li\n0.001809 0.998459 0.479767 Li\n0.693556 0.352568 0.400720 Li\n0.651472 0.827767 0.221995 V\n0.824421 0.650898 0.720066 V\n0.816443 0.155166 0.710729 V\n0.170669 0.829164 0.208195 Cu\n0.171627 0.340257 0.208786 Cu\n0.337024 0.166151 0.708878 Cu\n0.331727 0.673134 0.484888 Sb\n0.654401 0.324588 0.992756 Sb\n0.158455 0.837875 0.591275 O\n0.058743 0.535211 0.346654 O\n0.359244 0.680084 0.115432 O\n0.988754 0.993114 0.290654 O\n0.986938 0.984405 0.798910 O\n0.130958 0.331940 0.594698 O\n0.531599 0.986319 0.359722 O\n0.520402 0.544859 0.361140 O\n0.308280 0.146997 0.084571 O\n0.658255 0.829362 0.607678 O\n0.521949 0.478230 0.845221 O\n0.549486 0.031338 0.844220 O\n0.684960 0.353033 0.610060 O\n0.802431 0.655701 0.088911 O\n0.957870 0.485112 0.839406 O\n0.809380 0.153738 0.089425 O\n",
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"elements": [
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],
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"volume_molar": 6.535889158932614,
"formula_full": "Li4 V3 Cu3 Sb2 O16",
"formula_reduced": "Li4V3Cu3(SbO8)2",
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"energy": -189.81498663,
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{
"id": "mp-775183",
"created_at": "2022-09-04T14:40:38.954553Z",
"structure_string": "Li4 V3 Cu3 Te2 O16\n1.0\n-5.921588 0.000000 0.000000\n2.949376 5.209164 0.000000\n-0.000898 -0.487833 -9.882622\nLi V Cu Te O\n4 3 3 2 16\ndirect\n0.335664 0.667862 0.915063 Li\n0.003676 0.009491 0.986892 Li\n0.997566 0.999281 0.477626 Li\n0.654544 0.306757 0.408228 Li\n0.175631 0.351774 0.223291 V\n0.830908 0.183126 0.719210 V\n0.348740 0.181486 0.713954 V\n0.658701 0.832394 0.207715 Cu\n0.173670 0.832437 0.207748 Cu\n0.832800 0.666664 0.707000 Cu\n0.331842 0.666136 0.486655 Te\n0.673537 0.348451 0.988060 Te\n0.663962 0.839598 0.587088 O\n0.468808 0.938048 0.353305 O\n0.318818 0.636433 0.116574 O\n0.008377 0.017491 0.286009 O\n0.997995 0.017579 0.794714 O\n0.174498 0.843863 0.585437 O\n0.453421 0.476480 0.364096 O\n0.023329 0.479087 0.362748 O\n0.840929 0.682035 0.082565 O\n0.169557 0.348743 0.601029 O\n0.965958 0.469428 0.852839 O\n0.504623 0.467983 0.852169 O\n0.672659 0.313293 0.608992 O\n0.838464 0.192622 0.087699 O\n0.528816 0.041133 0.844563 O\n0.352807 0.190326 0.086573 O\n",
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"elements": [
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"chemical_system": "Cu-Li-O-Te-V",
"density": 4.8066722706383835,
"density_atomic": 0.09185009900732184,
"volume": 304.84452714381916,
"volume_molar": 6.556488044199,
"formula_full": "Li4 V3 Cu3 Te2 O16",
"formula_reduced": "Li4V3Cu3(TeO8)2",
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"energy": -185.22728297,
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"updated_at": "2021-11-28T01:35:06.036000Z",
"spacegroup": 1
},
{
"id": "mp-1177220",
"created_at": "2022-09-04T14:40:19.221158Z",
"structure_string": "Li4 V3 Cu3 W2 O16\n1.0\n-5.915830 0.000000 0.000000\n2.945923 5.184105 0.000000\n-0.009526 -0.446404 -9.937575\nLi V Cu W O\n4 3 3 2 16\ndirect\n0.666297 0.333508 0.089059 Li\n0.995881 0.989572 0.010820 Li\n0.997236 0.994725 0.521215 Li\n0.342116 0.687434 0.590130 Li\n0.825984 0.651083 0.772505 V\n0.658083 0.821260 0.284036 V\n0.163454 0.815680 0.280128 V\n0.819955 0.163201 0.792655 Cu\n0.342390 0.162372 0.792999 Cu\n0.169427 0.338466 0.291976 Cu\n0.664853 0.330424 0.511126 W\n0.330014 0.656107 0.010311 W\n0.819412 0.155401 0.415146 O\n0.531176 0.061513 0.641633 O\n0.680659 0.362953 0.880974 O\n0.995153 0.990005 0.713935 O\n0.010346 0.994061 0.201741 O\n0.338336 0.158413 0.415790 O\n0.974761 0.522297 0.636582 O\n0.548254 0.524151 0.635400 O\n0.161951 0.326541 0.928715 O\n0.830925 0.648793 0.397724 O\n0.498307 0.536405 0.149029 O\n0.034887 0.533243 0.151024 O\n0.330375 0.685578 0.388447 O\n0.643505 0.800348 0.915216 O\n0.471281 0.959121 0.157487 O\n0.155281 0.797344 0.916359 O\n",
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"formula_full": "Li4 V3 Cu3 W2 O16",
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{
"id": "mp-778593",
"created_at": "2022-09-04T14:42:44.690054Z",
"structure_string": "Li4 V2 Fe3 Co3 O16\n1.0\n-5.826057 0.000000 0.000000\n2.902575 5.078919 0.000000\n-0.009586 -0.041062 -9.386473\nLi V Fe Co O\n4 2 3 3 16\ndirect\n0.336825 0.674065 0.099193 Li\n0.995186 0.986903 0.005642 Li\n0.992481 0.981871 0.507999 Li\n0.667444 0.334793 0.603113 Li\n0.334696 0.662654 0.504662 V\n0.666405 0.336000 0.002992 V\n0.171657 0.343787 0.780060 Fe\n0.343670 0.172299 0.281996 Fe\n0.829853 0.174396 0.280815 Fe\n0.172760 0.827748 0.786071 Co\n0.656651 0.820908 0.785347 Co\n0.826685 0.651864 0.286303 Co\n0.169322 0.819851 0.408592 O\n0.477183 0.954548 0.663194 O\n0.345858 0.679241 0.888697 O\n0.989398 0.988191 0.699673 O\n0.993991 0.987280 0.196939 O\n0.651095 0.820885 0.408900 O\n0.042019 0.536970 0.658679 O\n0.471479 0.512132 0.645522 O\n0.828552 0.656698 0.902558 O\n0.167360 0.343619 0.414121 O\n0.533086 0.493141 0.156228 O\n0.960271 0.494638 0.156569 O\n0.668174 0.336764 0.394695 O\n0.345022 0.170074 0.908598 O\n0.522299 0.045213 0.147726 O\n0.840280 0.193468 0.917277 O\n",
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"formula_full": "Li4 V2 Fe3 Co3 O16",
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{
"id": "mp-777330",
"created_at": "2022-09-04T14:46:26.215581Z",
"structure_string": "Li4 V2 Fe3 Co3 O16\n1.0\n5.770697 0.012147 -0.065305\n-2.874843 4.978209 0.000463\n-0.104487 -0.059381 9.390232\nLi V Fe Co O\n4 2 3 3 16\ndirect\n0.329367 0.664603 0.899360 Li\n0.009701 0.004895 0.993248 Li\n0.012483 0.006169 0.492186 Li\n0.667175 0.333655 0.393486 Li\n0.332255 0.666214 0.499614 V\n0.664371 0.332083 0.003066 V\n0.645276 0.822702 0.222528 Fe\n0.824798 0.644561 0.719991 Fe\n0.825419 0.180430 0.719772 Fe\n0.176553 0.831675 0.213330 Co\n0.176582 0.344826 0.213368 Co\n0.348567 0.174562 0.713615 Co\n0.180332 0.832136 0.593323 O\n0.050597 0.525229 0.332358 O\n0.325465 0.662801 0.107308 O\n0.008609 0.004285 0.299978 O\n0.007822 0.004462 0.797276 O\n0.180215 0.348031 0.593322 O\n0.467994 0.960428 0.344612 O\n0.467883 0.507642 0.344594 O\n0.343059 0.171538 0.101539 O\n0.655463 0.828070 0.583684 O\n0.508979 0.467344 0.844870 O\n0.508851 0.041622 0.844827 O\n0.660194 0.329510 0.602161 O\n0.831219 0.655020 0.090650 O\n0.959666 0.479723 0.853054 O\n0.831106 0.176086 0.090718 O\n",
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"elements": [
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"density": 4.488717494992377,
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"formula_full": "Li4 V2 Fe3 Co3 O16",
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"energy": -203.68575458,
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},
{
"id": "mp-780863",
"created_at": "2022-09-04T14:43:06.984206Z",
"structure_string": "Li4 V2 Fe3 Cu3 O16\n1.0\n5.904836 0.010113 0.004135\n-2.943843 5.122004 -0.012811\n0.005572 -0.020771 9.538676\nLi V Fe Cu O\n4 2 3 3 16\ndirect\n0.322502 0.662195 0.903156 Li\n0.004218 0.002482 0.992188 Li\n0.012266 0.005561 0.488194 Li\n0.657619 0.327145 0.402812 Li\n0.332060 0.665314 0.498279 V\n0.665992 0.331843 0.997285 V\n0.655453 0.828076 0.220909 Fe\n0.825100 0.654779 0.719417 Fe\n0.825268 0.170422 0.718788 Fe\n0.172798 0.829623 0.211531 Cu\n0.176322 0.345093 0.215009 Cu\n0.346928 0.174723 0.714913 Cu\n0.170443 0.819656 0.586631 O\n0.046653 0.518670 0.349762 O\n0.326112 0.666950 0.110939 O\n0.012215 0.001984 0.295431 O\n0.005755 0.003103 0.799967 O\n0.170933 0.349541 0.587251 O\n0.483915 0.959478 0.349758 O\n0.482460 0.522213 0.349447 O\n0.350753 0.179822 0.083968 O\n0.655072 0.826875 0.586983 O\n0.518966 0.480946 0.848047 O\n0.518707 0.040066 0.847957 O\n0.669037 0.334579 0.605865 O\n0.817684 0.652535 0.086864 O\n0.957666 0.478897 0.849168 O\n0.817104 0.167725 0.087315 O\n",
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{
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