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{
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{
"id": "mp-863702",
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"structure_string": "Er2 Mg1 In1\n1.0\n0.000000 3.728449 3.728449\n3.728449 0.000000 3.728449\n3.728449 3.728449 0.000000\nEr Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 In\n",
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{
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"structure_string": "Li4 Cr3 Fe2 Co3 O16\n1.0\n5.706965 -0.013467 0.014387\n-2.865146 4.962771 0.000533\n0.021405 0.013313 9.416328\nLi Cr Fe Co O\n4 3 2 3 16\ndirect\n0.338712 0.669093 0.890688 Li\n0.988082 0.994219 0.995396 Li\n0.990385 0.995024 0.497697 Li\n0.667232 0.333812 0.395721 Li\n0.173287 0.826992 0.214528 Cr\n0.172484 0.345612 0.214561 Cr\n0.347554 0.173071 0.715008 Cr\n0.338298 0.668952 0.498864 Fe\n0.675654 0.338246 0.991913 Fe\n0.657805 0.829196 0.213163 Co\n0.829358 0.660087 0.712966 Co\n0.828461 0.169241 0.713022 Co\n0.164953 0.838582 0.602297 O\n0.032532 0.516148 0.334453 O\n0.337287 0.668562 0.100911 O\n0.997317 0.998388 0.307353 O\n0.996722 0.998573 0.806482 O\n0.164784 0.326050 0.602689 O\n0.480028 0.959931 0.337699 O\n0.480101 0.520521 0.337569 O\n0.324678 0.162297 0.102160 O\n0.668898 0.834552 0.605715 O\n0.521725 0.482095 0.836395 O\n0.521050 0.039072 0.836660 O\n0.673467 0.337275 0.605156 O\n0.835254 0.670312 0.103267 O\n0.958953 0.479607 0.832519 O\n0.834937 0.164792 0.102994 O\n",
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"formula_full": "Li4 Cr3 Fe2 Co3 O16",
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"spacegroup": 8
},
{
"id": "mp-1023204",
"created_at": "2022-09-04T14:44:15.536598Z",
"structure_string": "Mg12 Zr2 Mn2\n1.0\n4.994018 0.000000 0.000000\n0.000000 6.140648 0.000000\n0.000000 0.000000 11.184714\nMg Zr Mn\n12 2 2\ndirect\n0.500000 0.251613 0.421801 Mg\n0.500000 0.748387 0.421801 Mg\n0.000000 0.752148 0.085108 Mg\n0.000000 0.247852 0.085108 Mg\n0.000000 0.000000 0.319555 Mg\n0.000000 0.500000 0.331551 Mg\n0.500000 0.751613 0.921801 Mg\n0.500000 0.248387 0.921801 Mg\n0.000000 0.252148 0.585108 Mg\n0.000000 0.747852 0.585108 Mg\n0.000000 0.500000 0.819555 Mg\n0.000000 0.000000 0.831551 Mg\n0.500000 0.500000 0.174336 Zr\n0.500000 0.000000 0.674336 Zr\n0.500000 0.000000 0.160735 Mn\n0.500000 0.500000 0.660735 Mn\n",
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"formula_full": "Mg12 Zr2 Mn2",
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"spacegroup": 38
},
{
"id": "mp-684704",
"created_at": "2022-09-04T14:44:15.543914Z",
"structure_string": "H8 O4\n1.0\n4.119472 2.342589 0.000000\n-4.119472 2.342589 0.000000\n0.000000 1.150626 7.193756\nH O\n8 4\ndirect\n0.609529 0.188941 0.404107 H\n0.533434 0.460838 0.004757 H\n0.800577 0.401257 0.089053 H\n0.917103 0.443714 0.497066 H\n0.188941 0.609529 0.904107 H\n0.460838 0.533434 0.504757 H\n0.401257 0.800577 0.589053 H\n0.443714 0.917103 0.997066 H\n0.669438 0.332897 0.500483 O\n0.633904 0.319359 0.004534 O\n0.332897 0.669438 0.000483 O\n0.319359 0.633904 0.504534 O\n",
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],
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"density": 0.861840207571845,
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"volume": 138.8427969496601,
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"formula_full": "H8 O4",
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"spacegroup": 9
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{
"id": "mp-1188000",
"created_at": "2022-09-04T14:44:15.547765Z",
"structure_string": "Zn6 Au2\n1.0\n2.907926 -5.036675 0.000000\n2.907926 5.036675 0.000000\n0.000000 0.000000 4.283244\nZn Au\n6 2\ndirect\n0.164857 0.329715 0.250000 Zn\n0.670285 0.835143 0.250000 Zn\n0.164857 0.835143 0.250000 Zn\n0.835143 0.670285 0.750000 Zn\n0.329715 0.164857 0.750000 Zn\n0.835143 0.164857 0.750000 Zn\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
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"density_atomic": 0.06376170144185911,
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"formula_full": "Zn6 Au2",
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{
"id": "mp-1202729",
"created_at": "2022-09-04T14:44:15.560141Z",
"structure_string": "Ca8 H64 N16 O80\n1.0\n9.253401 0.000000 0.000000\n0.000000 12.762813 0.000000\n0.000000 8.611644 14.412934\nCa H N O\n8 64 16 80\ndirect\n0.910646 0.550073 0.865729 Ca\n0.589354 0.550073 0.365729 Ca\n0.089354 0.449927 0.134271 Ca\n0.410646 0.449927 0.634271 Ca\n0.911456 0.039993 0.866627 Ca\n0.588544 0.039993 0.366627 Ca\n0.088544 0.960007 0.133373 Ca\n0.411456 0.960007 0.633373 Ca\n0.995678 0.805195 0.819869 H\n0.504322 0.805195 0.319869 H\n0.004322 0.194805 0.180131 H\n0.495678 0.194805 0.680131 H\n0.885121 0.819892 0.742649 H\n0.614879 0.819892 0.242649 H\n0.114879 0.180108 0.257351 H\n0.385121 0.180108 0.757351 H\n0.705756 0.724751 0.891595 H\n0.794244 0.724751 0.391595 H\n0.294244 0.275249 0.108405 H\n0.205756 0.275249 0.608405 H\n0.626129 0.599106 0.929558 H\n0.873871 0.599106 0.429558 H\n0.373871 0.400894 0.070442 H\n0.126129 0.400894 0.570442 H\n0.640896 0.416984 0.853831 H\n0.859104 0.416984 0.353831 H\n0.359104 0.583016 0.146169 H\n0.140896 0.583016 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{
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{
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{
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{
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{
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"structure_string": "Al19 Cr1 O30\n1.0\n-4.820305 0.000000 0.000000\n2.409151 4.598340 0.000000\n-0.004457 -1.720664 -19.900329\nAl Cr O\n19 1 30\ndirect\n0.494239 0.987482 0.071209 Al\n0.606937 0.213447 0.230125 Al\n0.593147 0.186101 0.370684 Al\n0.193334 0.384203 0.171775 Al\n0.706871 0.413805 0.529587 Al\n0.692955 0.386012 0.670295 Al\n0.006978 0.013917 0.429750 Al\n0.892775 0.785658 0.271299 Al\n0.907878 0.815017 0.131066 Al\n0.993040 0.986115 0.570432 Al\n0.092334 0.185072 0.868848 Al\n0.107042 0.213641 0.729089 Al\n0.807083 0.612898 0.828939 Al\n0.306875 0.613803 0.329901 Al\n0.406749 0.813854 0.629424 Al\n0.506239 0.013940 0.928211 Al\n0.293206 0.586283 0.470535 Al\n0.393086 0.785228 0.769878 Al\n0.790792 0.585122 0.969145 Al\n0.208997 0.418940 0.029902 Cr\n0.456210 0.300146 0.450024 O\n0.167946 0.641489 0.114075 O\n0.633239 0.960789 0.289033 O\n0.235300 0.152762 0.092587 O\n0.572551 0.838722 0.411270 O\n0.744967 0.099994 0.150582 O\n0.943595 0.499169 0.749578 O\n0.667572 0.709229 0.050084 O\n0.855990 0.099793 0.649781 O\n0.223287 0.767838 0.988071 O\n0.627620 0.560906 0.189302 O\n0.027557 0.361114 0.388858 O\n0.827665 0.960976 0.788318 O\n0.566661 0.439035 0.311485 O\n0.966312 0.238692 0.511168 O\n0.033716 0.761219 0.488802 O\n0.752829 0.234414 0.010330 O\n0.433696 0.561227 0.688424 O\n0.972276 0.638614 0.611090 O\n0.172116 0.038608 0.212773 O\n0.373199 0.438326 0.810296 O\n0.349811 0.299240 0.945805 O\n0.144071 0.899883 0.350336 O\n0.255472 0.897851 0.849039 O\n0.055590 0.499276 0.250530 O\n0.427477 0.161167 0.588675 O\n0.366208 0.038348 0.710886 O\n0.765806 0.839010 0.910689 O\n0.836861 0.361721 0.888098 O\n0.543847 0.699906 0.549919 O\n",
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{
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"structure_string": "Mn2 B8 O32\n1.0\n7.483779 0.000000 0.000000\n-2.643363 7.906575 0.000000\n-2.430816 -1.307091 9.452914\nMn B O\n2 8 32\ndirect\n0.614511 0.859136 0.750586 Mn\n0.385489 0.140864 0.249414 Mn\n0.004916 0.224375 0.561759 B\n0.995084 0.775625 0.438241 B\n0.186884 0.477674 0.910344 B\n0.813116 0.522326 0.089656 B\n0.267714 0.309336 0.758633 B\n0.732286 0.690664 0.241367 B\n0.978483 0.178825 0.801268 B\n0.021517 0.821175 0.198732 B\n0.922533 0.182628 0.419792 O\n0.077467 0.817372 0.580208 O\n0.207135 0.307136 0.613284 O\n0.792865 0.692864 0.386716 O\n0.333131 0.461649 0.849828 O\n0.666869 0.538351 0.150172 O\n0.223640 0.637030 0.978245 O\n0.776360 0.362970 0.021755 O\n0.014663 0.341917 0.891863 O\n0.985337 0.658083 0.108137 O\n0.852815 0.031752 0.848819 O\n0.147185 0.968248 0.151181 O\n0.887615 0.190209 0.653083 O\n0.112385 0.809791 0.346917 O\n0.536271 0.277226 0.764898 O\n0.463729 0.722774 0.235102 O\n0.174386 0.161682 0.812016 O\n0.825614 0.838318 0.187984 O\n0.682088 0.873352 0.590827 O\n0.317912 0.126648 0.409173 O\n0.470502 0.658638 0.626050 O\n0.529498 0.341362 0.373950 O\n0.653802 0.727040 0.877301 O\n0.346198 0.272960 0.122699 O\n0.772192 0.674903 0.704809 O\n0.227808 0.325097 0.295191 O\n0.449851 0.940110 0.759409 O\n0.550149 0.059890 0.240591 O\n0.623821 0.347160 0.682638 O\n0.376179 0.652840 0.317362 O\n0.911916 0.086901 0.076361 O\n0.088084 0.913099 0.923639 O\n",
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}
]
}