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{
"id": "mp-1174599",
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.920353 0.000000 0.000000\n-1.593227 6.347958 0.000000\n-2.850552 -2.652645 6.681537\nLi Mn Co O\n8 2 4 14\ndirect\n0.634697 0.142910 0.709553 Li\n0.799851 0.287465 0.438989 Li\n0.357725 0.853798 0.287534 Li\n0.496601 0.000790 0.993692 Li\n0.069772 0.567050 0.851831 Li\n0.215322 0.725070 0.574648 Li\n0.925668 0.427037 0.142533 Li\n0.147246 0.142391 0.715639 Li\n0.000420 0.001775 0.997961 Mn\n0.425732 0.423553 0.139542 Mn\n0.283409 0.280781 0.434939 Co\n0.553405 0.561133 0.849004 Co\n0.724490 0.718409 0.576671 Co\n0.855941 0.860111 0.291616 Co\n0.058851 0.278963 0.945720 O\n0.202777 0.444778 0.648074 O\n0.750822 0.977141 0.487731 O\n0.907111 0.132254 0.208187 O\n0.464931 0.692884 0.075976 O\n0.637470 0.867840 0.798791 O\n0.334413 0.550383 0.350640 O\n0.244620 0.010065 0.489046 O\n0.369949 0.147864 0.197209 O\n0.946704 0.734839 0.069633 O\n0.090022 0.861965 0.796545 O\n0.672165 0.437020 0.639196 O\n0.794683 0.564720 0.345064 O\n0.535203 0.307012 0.944036 O\n",
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{
"id": "mp-762289",
"created_at": "2022-09-04T14:42:56.068284Z",
"structure_string": "Li2 P2 W1 O8\n1.0\n2.452877 -4.248508 0.000000\n2.452877 4.248508 0.000000\n0.000000 0.000000 7.737412\nLi P W O\n2 2 1 8\ndirect\n0.333333 0.666667 0.165781 Li\n0.666667 0.333333 0.834219 Li\n0.333333 0.666667 0.731517 P\n0.666667 0.333333 0.268483 P\n0.000000 0.000000 0.500000 W\n0.041463 0.682362 0.661507 O\n0.333333 0.666667 0.924784 O\n0.317638 0.359102 0.661507 O\n0.640898 0.958537 0.661507 O\n0.359102 0.041463 0.338493 O\n0.682362 0.640898 0.338493 O\n0.666667 0.333333 0.075216 O\n0.958537 0.317638 0.338493 O\n",
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"volume": 161.26418634466998,
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"formula_full": "Li2 P2 W1 O8",
"formula_reduced": "Li2P2WO8",
"formula_anonymous": "AB2C2D8",
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{
"id": "mp-1176019",
"created_at": "2022-09-04T14:43:03.119455Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.152409 0.000000 0.000000\n-1.932885 -5.604308 0.000000\n-1.871500 0.245123 -9.912582\nLi Mn Co O\n9 2 5 16\ndirect\n0.004794 0.497196 0.995837 Li\n0.997840 0.247036 0.252605 Li\n0.495964 0.609878 0.869926 Li\n0.493301 0.377905 0.123812 Li\n0.981649 0.750971 0.748359 Li\n0.510702 0.881748 0.630392 Li\n0.012518 0.005813 0.505152 Li\n0.500541 0.129667 0.377117 Li\n0.000634 0.250475 0.750316 Li\n0.001605 0.002321 0.997662 Mn\n0.501444 0.622383 0.377931 Mn\n0.998324 0.750148 0.250210 Co\n0.999742 0.496777 0.503803 Co\n0.508361 0.133216 0.867336 Co\n0.499535 0.876306 0.126423 Co\n0.494748 0.374506 0.623072 Co\n0.240966 0.291009 0.941097 O\n0.233379 0.055073 0.179371 O\n0.718728 0.423885 0.803229 O\n0.754050 0.155228 0.057367 O\n0.258442 0.539916 0.669255 O\n0.723830 0.673763 0.561650 O\n0.220021 0.791066 0.434377 O\n0.733947 0.918602 0.306082 O\n0.772844 0.700169 0.066416 O\n0.772625 0.445455 0.321703 O\n0.247609 0.839118 0.947495 O\n0.268094 0.585801 0.193531 O\n0.753792 0.940393 0.827589 O\n0.279147 0.083933 0.681855 O\n0.746032 0.227216 0.565403 O\n0.274792 0.323028 0.443629 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"formula_anonymous": "A2B5C9D16",
"energy": -208.10039491,
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"spacegroup": 1
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{
"id": "mp-1180900",
"created_at": "2022-09-04T14:42:55.875172Z",
"structure_string": "K1 Cu3 Pb1 Se4\n1.0\n6.399158 0.000000 0.000000\n0.000000 6.399158 0.000000\n0.000000 0.000000 6.399158\nK Cu Pb Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Pb\n0.231600 0.231600 0.231600 Se\n0.768400 0.768400 0.231600 Se\n0.231600 0.768400 0.768400 Se\n0.768400 0.231600 0.768400 Se\n",
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"formula_full": "K1 Cu3 Pb1 Se4",
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"formula_anonymous": "ABC3D4",
"energy": -33.35566185,
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"spacegroup": 215
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{
"id": "mp-19470",
"created_at": "2022-09-04T14:43:08.462506Z",
"structure_string": "Na4 Ni7 P6 O24\n1.0\n7.066375 5.358621 0.000000\n-7.066375 5.358621 0.000000\n0.000000 1.662151 6.280672\nNa Ni P O\n4 7 6 24\ndirect\n0.929578 0.929578 0.522023 Na\n0.277139 0.277139 0.463249 Na\n0.736777 0.487459 0.460838 Na\n0.487459 0.736777 0.460838 Na\n0.358135 0.983444 0.182033 Ni\n0.983444 0.358135 0.182033 Ni\n0.023939 0.636950 0.817855 Ni\n0.636950 0.023939 0.817855 Ni\n0.375256 0.627104 0.998689 Ni\n0.627104 0.375256 0.998689 Ni\n0.000816 0.000816 0.000423 Ni\n0.691545 0.691545 0.035633 P\n0.314338 0.314338 0.957785 P\n0.282938 0.906066 0.719923 P\n0.906066 0.282938 0.719923 P\n0.099679 0.715504 0.282875 P\n0.715504 0.099679 0.282875 P\n0.556209 0.556209 0.203016 O\n0.452862 0.452862 0.802847 O\n0.800593 0.800593 0.145929 O\n0.204466 0.204466 0.849771 O\n0.223821 0.400106 0.107770 O\n0.400106 0.223821 0.107770 O\n0.601665 0.781140 0.893041 O\n0.781140 0.601665 0.893041 O\n0.999469 0.660301 0.510113 O\n0.660301 0.999469 0.510113 O\n0.338446 0.000761 0.491116 O\n0.000761 0.338446 0.491116 O\n0.017768 0.603832 0.143534 O\n0.603832 0.017768 0.143534 O\n0.392520 0.986135 0.861690 O\n0.986135 0.392520 0.861690 O\n0.111963 0.897499 0.212694 O\n0.724820 0.284384 0.748997 O\n0.284384 0.724820 0.748997 O\n0.720240 0.281751 0.251609 O\n0.281751 0.720240 0.251609 O\n0.886766 0.099517 0.790186 O\n0.099517 0.886766 0.790186 O\n0.897499 0.111963 0.212694 O\n",
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"formula_full": "Na4 Ni7 P6 O24",
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{
"id": "mp-1113205",
"created_at": "2022-09-04T14:43:08.464440Z",
"structure_string": "Cs2 Tl1 Cu1 Cl6\n1.0\n0.000000 5.247033 5.247033\n5.247033 0.000000 5.247033\n5.247033 5.247033 0.000000\nCs Tl Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.736545 0.263455 0.263455 Cl\n0.263455 0.263455 0.736545 Cl\n0.263455 0.736545 0.736545 Cl\n0.263455 0.736545 0.263455 Cl\n0.736545 0.263455 0.736545 Cl\n0.736545 0.736545 0.263455 Cl\n",
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],
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"formula_full": "Cs2 Tl1 Cu1 Cl6",
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{
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"structure_string": "Fe2 Te4 Cl1 O12\n1.0\n5.303197 0.000000 0.000000\n1.811753 6.346867 0.000000\n1.911757 2.095835 8.548195\nFe Te Cl O\n2 4 1 12\ndirect\n0.725056 0.630430 0.440209 Fe\n0.274944 0.369570 0.559791 Fe\n0.316912 0.682310 0.165095 Te\n0.683088 0.317690 0.834905 Te\n0.818723 0.151021 0.290692 Te\n0.181277 0.848979 0.709308 Te\n0.000000 0.500000 0.000000 Cl\n0.084499 0.972937 0.152043 O\n0.915501 0.027063 0.847957 O\n0.119150 0.535101 0.353224 O\n0.880850 0.464899 0.646776 O\n0.543250 0.251058 0.171369 O\n0.456750 0.748942 0.828631 O\n0.579508 0.748511 0.243204 O\n0.420492 0.251489 0.756796 O\n0.223215 0.093422 0.546245 O\n0.776785 0.906578 0.453755 O\n0.652506 0.342861 0.436689 O\n0.347494 0.657139 0.563311 O\n",
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{
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{
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}