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{
"id": "mp-850255",
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"structure_string": "Li2 Fe2 P6 H16 O26\n1.0\n7.597055 0.000000 0.000000\n-2.539167 8.245405 0.000000\n-0.188581 -1.974675 9.393354\nLi Fe P H O\n2 2 6 16 26\ndirect\n0.285971 0.598241 0.691204 Li\n0.714029 0.401759 0.308796 Li\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.284362 0.275153 0.939884 P\n0.802252 0.644506 0.757328 P\n0.989924 0.001597 0.779733 P\n0.010076 0.998403 0.220267 P\n0.197748 0.355494 0.242672 P\n0.715638 0.724847 0.060116 P\n0.798794 0.187369 0.947721 H\n0.661453 0.295774 0.964070 H\n0.466391 0.094711 0.770009 H\n0.809944 0.311044 0.632296 H\n0.611133 0.994704 0.753753 H\n0.242226 0.131584 0.581175 H\n0.886455 0.175020 0.544967 H\n0.344566 0.247178 0.474422 H\n0.655434 0.752822 0.525578 H\n0.113545 0.824980 0.455033 H\n0.757774 0.868416 0.418825 H\n0.388867 0.005296 0.246247 H\n0.190056 0.688956 0.367704 H\n0.533609 0.905289 0.229991 H\n0.338547 0.704226 0.035930 H\n0.201206 0.812631 0.052279 H\n0.780563 0.289829 0.006848 O\n0.148371 0.086570 0.910736 O\n0.183405 0.384642 0.890951 O\n0.465728 0.276237 0.881562 O\n0.812819 0.031184 0.824725 O\n0.679562 0.685448 0.888553 O\n0.886727 0.511023 0.777665 O\n0.058668 0.045436 0.643271 O\n0.978195 0.810119 0.777691 O\n0.485833 0.991220 0.714888 O\n0.679713 0.619904 0.625326 O\n0.789619 0.229182 0.541269 O\n0.363399 0.177900 0.541451 O\n0.636601 0.822100 0.458549 O\n0.210381 0.770818 0.458731 O\n0.320287 0.380096 0.374674 O\n0.514167 0.008780 0.285112 O\n0.021805 0.189881 0.222309 O\n0.941332 0.954564 0.356729 O\n0.113273 0.488977 0.222335 O\n0.320438 0.314552 0.111447 O\n0.187181 0.968816 0.175275 O\n0.534272 0.723763 0.118438 O\n0.816595 0.615358 0.109049 O\n0.851629 0.913430 0.089264 O\n0.219437 0.710171 0.993152 O\n",
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"formula_full": "Li2 Fe2 P6 H16 O26",
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{
"id": "mp-850257",
"created_at": "2022-09-04T14:40:15.310990Z",
"structure_string": "Li6 V4 P8 H4 O32\n1.0\n4.872023 -8.077372 -0.017644\n4.872622 8.077711 -0.033448\n2.968863 -0.006992 7.294486\nLi V P H O\n6 4 8 4 32\ndirect\n0.462799 0.093803 0.353243 Li\n0.046273 0.413196 0.653748 Li\n0.336620 0.207849 0.852057 Li\n0.656629 0.791624 0.155552 Li\n0.956515 0.593112 0.345413 Li\n0.838433 0.702673 0.844058 Li\n0.252029 0.254426 0.488199 V\n0.500703 0.999866 0.997355 V\n0.999185 0.493568 0.003814 V\n0.745958 0.751945 0.500672 V\n0.259251 0.606728 0.269318 P\n0.757442 0.108880 0.265428 P\n0.645053 0.495088 0.229695 P\n0.143527 0.992263 0.233041 P\n0.356600 0.508600 0.760220 P\n0.856376 0.013959 0.764379 P\n0.740437 0.392770 0.733550 P\n0.239703 0.894454 0.739725 P\n0.746796 0.252808 0.497166 H\n0.258134 0.764855 0.516907 H\n0.481355 0.490154 0.982352 H\n0.988433 0.999003 0.993072 H\n0.123180 0.061598 0.054686 O\n0.165245 0.113007 0.354726 O\n0.014206 0.189897 0.645024 O\n0.239545 0.060273 0.687514 O\n0.625556 0.081763 0.153747 O\n0.132834 0.582442 0.164430 O\n0.278578 0.450525 0.318703 O\n0.486039 0.314964 0.349893 O\n0.680282 0.137541 0.436897 O\n0.186112 0.629717 0.447647 O\n0.330694 0.376744 0.652399 O\n0.194567 0.512855 0.808003 O\n0.697957 0.026315 0.821320 O\n0.624384 0.567737 0.050891 O\n0.930468 0.259974 0.140571 O\n0.436847 0.764711 0.145108 O\n0.561116 0.235234 0.851329 O\n0.063508 0.737426 0.851615 O\n0.378637 0.425563 0.937145 O\n0.807043 0.487266 0.190834 O\n0.309500 0.988345 0.190959 O\n0.660912 0.617962 0.339682 O\n0.813192 0.370777 0.552028 O\n0.315021 0.875907 0.556588 O\n0.511518 0.681345 0.644103 O\n0.736799 0.556422 0.687898 O\n0.866194 0.410492 0.838523 O\n0.359826 0.914385 0.857850 O\n0.760144 0.945109 0.309423 O\n0.988085 0.816317 0.353670 O\n0.833594 0.884091 0.665161 O\n0.879503 0.938660 0.946532 O\n",
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"formula_full": "Li6 V4 P8 H4 O32",
"formula_reduced": "Li3V2P4(HO8)2",
"formula_anonymous": "A2B2C3D4E16",
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"spacegroup": 1
},
{
"id": "mp-850260",
"created_at": "2022-09-04T14:40:54.427675Z",
"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n5.231916 0.000000 0.000000\n0.113423 6.026866 0.000000\n0.131874 2.380970 15.914898\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.847701 0.066127 0.388992 Li\n0.151230 0.435735 0.110952 Li\n0.653228 0.182610 0.861025 Li\n0.348999 0.316307 0.639296 Li\n0.652330 0.687105 0.358607 Li\n0.348612 0.813241 0.141219 Li\n0.849231 0.563991 0.891221 Li\n0.149808 0.934260 0.609056 Li\n0.168394 0.027075 0.789925 Mn\n0.662744 0.277418 0.040208 Fe\n0.337748 0.222182 0.459937 Fe\n0.164027 0.522754 0.292678 Fe\n0.821051 0.474716 0.710271 Fe\n0.673476 0.775362 0.538916 Fe\n0.837029 0.976832 0.207374 Fe\n0.324317 0.722436 0.961533 Fe\n0.328944 0.038798 0.296897 B\n0.830074 0.287544 0.546263 B\n0.670887 0.461661 0.202986 B\n0.172763 0.212527 0.954438 B\n0.827502 0.786866 0.046633 B\n0.329603 0.535012 0.796725 B\n0.173508 0.712811 0.453509 B\n0.668497 0.964891 0.701931 B\n0.589926 0.013026 0.308183 O\n0.183390 0.168943 0.345569 O\n0.705901 0.174549 0.488794 O\n0.294136 0.327539 0.011509 O\n0.786338 0.080707 0.759470 O\n0.816445 0.330893 0.154375 O\n0.319945 0.080453 0.907173 O\n0.090133 0.262075 0.557132 O\n0.410061 0.487276 0.191664 O\n0.912642 0.236615 0.942548 O\n0.687109 0.420188 0.594595 O\n0.205595 0.421876 0.740041 O\n0.795241 0.574873 0.259980 O\n0.315915 0.581131 0.404576 O\n0.089366 0.764707 0.058343 O\n0.589851 0.512753 0.808593 O\n0.912357 0.736690 0.442284 O\n0.684479 0.918767 0.095056 O\n0.186640 0.667009 0.845903 O\n0.204735 0.925602 0.239599 O\n0.706632 0.672101 0.990142 O\n0.295858 0.825908 0.510312 O\n0.816649 0.830316 0.655223 O\n0.408954 0.987744 0.688347 O\n",
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"formula_full": "Li8 Mn1 Fe7 B8 O24",
"formula_reduced": "Li8MnFe7(BO3)8",
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},
{
"id": "mp-850274",
"created_at": "2022-09-04T14:41:05.696555Z",
"structure_string": "H2\n1.0\n-1.820480 1.820480 1.719522\n1.820480 -1.820480 1.719522\n1.820480 1.820480 -1.719522\nH\n2\ndirect\n0.109061 0.109061 0.000000 H\n0.890939 0.890939 0.000000 H\n",
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"formula_full": "H2",
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"spacegroup": 139
},
{
"id": "mp-850275",
"created_at": "2022-09-04T14:41:25.494887Z",
"structure_string": "Li3 Sb1 S4\n1.0\n6.162065 0.000000 0.000000\n0.000000 6.162065 0.000000\n0.000000 0.000000 6.162065\nLi Sb S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Sb\n0.220343 0.220343 0.220343 S\n0.220343 0.779657 0.779657 S\n0.779657 0.220343 0.779657 S\n0.779657 0.779657 0.220343 S\n",
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],
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"formula_full": "Li3 Sb1 S4",
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{
"id": "mp-850277",
"created_at": "2022-09-04T14:46:12.408465Z",
"structure_string": "Sr2 Ca2 I8\n1.0\n-4.833974 5.385987 5.386170\n4.833974 -5.385987 5.386170\n4.833974 5.385987 -5.386170\nSr Ca I\n2 2 8\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.015254 0.265254 0.750000 Ca\n0.984746 0.734746 0.250000 Ca\n0.272311 0.727469 0.544842 I\n0.190327 0.705195 0.014868 I\n0.809673 0.824542 0.514868 I\n0.682627 0.727469 0.955158 I\n0.317373 0.272531 0.044842 I\n0.809673 0.294805 0.985132 I\n0.190327 0.175458 0.485132 I\n0.727689 0.272531 0.455158 I\n",
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"elements": [
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"formula_full": "Sr2 Ca2 I8",
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{
"id": "mp-850279",
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"structure_string": "Sr4 Ca4 I16\n1.0\n8.181743 0.000000 0.000000\n0.000000 8.250707 0.000000\n0.000000 4.781940 16.350996\nSr Ca I\n4 4 16\ndirect\n0.049916 0.720404 0.841269 Sr\n0.450084 0.720404 0.341269 Sr\n0.549916 0.279596 0.658731 Sr\n0.950084 0.279596 0.158731 Sr\n0.353045 0.800698 0.597283 Ca\n0.146955 0.800698 0.097283 Ca\n0.853045 0.199302 0.902717 Ca\n0.646955 0.199302 0.402717 Ca\n0.192852 0.040039 0.680654 I\n0.307148 0.040039 0.180654 I\n0.696864 0.963384 0.580606 I\n0.803136 0.963384 0.080606 I\n0.371955 0.530514 0.765519 I\n0.263581 0.516643 0.520498 I\n0.128045 0.530514 0.265519 I\n0.763581 0.483357 0.979502 I\n0.236419 0.516643 0.020498 I\n0.871955 0.469486 0.734481 I\n0.736419 0.483357 0.479502 I\n0.628045 0.469486 0.234481 I\n0.196864 0.036616 0.919394 I\n0.303136 0.036616 0.419394 I\n0.692852 0.959961 0.819346 I\n0.807148 0.959961 0.319346 I\n",
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},
{
"id": "mp-850280",
"created_at": "2022-09-04T14:44:57.245679Z",
"structure_string": "Na8 Sn1 O6\n1.0\n5.981775 -3.175936 0.000000\n5.981775 3.175936 0.000000\n4.295559 0.000000 5.236065\nNa Sn O\n8 1 6\ndirect\n0.341074 0.341074 0.341074 Na\n0.754433 0.093005 0.497947 Na\n0.502053 0.245567 0.906995 Na\n0.906995 0.502053 0.245567 Na\n0.093005 0.497947 0.754433 Na\n0.497947 0.754433 0.093005 Na\n0.245567 0.906995 0.502053 Na\n0.658926 0.658926 0.658926 Na\n0.000000 0.000000 0.000000 Sn\n0.913336 0.220715 0.648014 O\n0.779285 0.351986 0.086664 O\n0.351986 0.086664 0.779285 O\n0.648014 0.913336 0.220715 O\n0.220715 0.648014 0.913336 O\n0.086664 0.779285 0.351986 O\n",
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"density": 3.327180053195096,
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"formula_full": "Na8 Sn1 O6",
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{
"id": "mp-850281",
"created_at": "2022-09-04T14:42:40.707252Z",
"structure_string": "Li7 Co2 O6\n1.0\n5.276716 0.000000 0.000000\n-0.147927 5.590189 0.000000\n-0.015032 -2.747711 5.064677\nLi Co O\n7 2 6\ndirect\n0.909320 0.500108 0.192415 Li\n0.828500 0.977220 0.828501 Li\n0.508777 0.781748 0.018365 Li\n0.428971 0.291329 0.961606 Li\n0.136106 0.037480 0.187891 Li\n0.075724 0.586726 0.816396 Li\n0.091068 0.099974 0.616116 Li\n0.361797 0.682065 0.491751 Co\n0.654239 0.290664 0.502773 Co\n0.767753 0.056569 0.179009 O\n0.776625 0.322901 0.818968 O\n0.727611 0.645749 0.526610 O\n0.288204 0.326687 0.520999 O\n0.240104 0.654467 0.160325 O\n0.223463 0.953198 0.832925 O\n",
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"elements": [
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"volume": 149.39703047744024,
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"formula_full": "Li7 Co2 O6",
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