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{
"id": "mp-1219029",
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"structure_string": "Sr20 P12 Br3 O48 F1\n1.0\n5.034223 -8.719530 0.000000\n5.034223 8.719530 0.000000\n0.000000 0.000000 14.502823\nSr P Br O F\n20 12 3 48 1\ndirect\n0.666667 0.333333 0.000195 Sr\n0.666667 0.333333 0.500609 Sr\n0.333333 0.666667 0.749976 Sr\n0.333333 0.666667 0.250655 Sr\n0.333333 0.666667 0.999805 Sr\n0.333333 0.666667 0.499391 Sr\n0.666667 0.333333 0.250024 Sr\n0.666667 0.333333 0.749345 Sr\n0.742219 0.738993 0.124943 Sr\n0.749883 0.748441 0.620735 Sr\n0.261007 0.003226 0.124943 Sr\n0.251559 0.001441 0.620735 Sr\n0.996774 0.257781 0.124943 Sr\n0.998559 0.250117 0.620735 Sr\n0.257781 0.261007 0.875057 Sr\n0.250117 0.251559 0.379265 Sr\n0.738993 0.996774 0.875057 Sr\n0.748441 0.998559 0.379265 Sr\n0.003226 0.742219 0.875057 Sr\n0.001441 0.749883 0.379265 Sr\n0.033727 0.625240 0.125614 P\n0.033005 0.624249 0.625213 P\n0.374760 0.408487 0.125614 P\n0.375751 0.408756 0.625213 P\n0.591513 0.966273 0.125614 P\n0.591244 0.966995 0.625213 P\n0.966273 0.374760 0.874386 P\n0.966995 0.375751 0.374787 P\n0.625240 0.591513 0.874386 P\n0.624249 0.591244 0.374787 P\n0.408487 0.033727 0.874386 P\n0.408756 0.033005 0.374787 P\n0.000000 0.000000 0.746745 Br\n0.000000 0.000000 0.253255 Br\n0.000000 0.000000 0.000000 Br\n0.857716 0.510007 0.125107 O\n0.857113 0.510568 0.624494 O\n0.489993 0.347709 0.125107 O\n0.489432 0.346545 0.624494 O\n0.652291 0.142284 0.125107 O\n0.653455 0.142887 0.624494 O\n0.142284 0.489993 0.874893 O\n0.142887 0.489432 0.375506 O\n0.510007 0.652291 0.874893 O\n0.510568 0.653455 0.375506 O\n0.347709 0.857716 0.874893 O\n0.346545 0.857113 0.375506 O\n0.084955 0.729614 0.038688 O\n0.083321 0.731934 0.539351 O\n0.270386 0.355342 0.038688 O\n0.268066 0.351388 0.539351 O\n0.644658 0.915045 0.038688 O\n0.648612 0.916679 0.539351 O\n0.915892 0.270457 0.787566 O\n0.915060 0.271418 0.288059 O\n0.729543 0.645435 0.787566 O\n0.728582 0.643642 0.288059 O\n0.354565 0.084108 0.787566 O\n0.356358 0.084940 0.288059 O\n0.915045 0.270386 0.961312 O\n0.916679 0.268066 0.460649 O\n0.729614 0.644658 0.961312 O\n0.731934 0.648612 0.460649 O\n0.355342 0.084955 0.961312 O\n0.351388 0.083321 0.460649 O\n0.084108 0.729543 0.212434 O\n0.084940 0.728582 0.711941 O\n0.270457 0.354565 0.212434 O\n0.271418 0.356358 0.711941 O\n0.645435 0.915892 0.212434 O\n0.643642 0.915060 0.711941 O\n0.124138 0.535911 0.125324 O\n0.122536 0.534296 0.623655 O\n0.464089 0.588227 0.125324 O\n0.465704 0.588240 0.623655 O\n0.411773 0.875862 0.125324 O\n0.411760 0.877464 0.623655 O\n0.875862 0.464089 0.874676 O\n0.877464 0.465704 0.376345 O\n0.535911 0.411773 0.874676 O\n0.534296 0.411760 0.376345 O\n0.588227 0.124138 0.874676 O\n0.588240 0.122536 0.376345 O\n0.000000 0.000000 0.500000 F\n",
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],
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"formula_full": "Sr20 P12 Br3 O48 F1",
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"spacegroup": 147
},
{
"id": "mp-780681",
"created_at": "2022-09-04T14:45:55.646703Z",
"structure_string": "Li3 Fe9 Si6 O24\n1.0\n5.090274 0.000000 0.000000\n-0.006851 8.896273 0.000000\n-2.454319 -4.245964 12.594369\nLi Fe Si O\n3 9 6 24\ndirect\n0.627804 0.901067 0.308102 Li\n0.510201 0.262457 0.140098 Li\n0.290984 0.982517 0.644322 Li\n0.002658 0.020216 0.003724 Fe\n0.740198 0.730995 0.512848 Fe\n0.786137 0.263656 0.816702 Fe\n0.711763 0.524483 0.657200 Fe\n0.077446 0.760695 0.162049 Fe\n0.391723 0.489694 0.959717 Fe\n0.301806 0.739582 0.807251 Fe\n0.127717 0.162162 0.462028 Fe\n0.058113 0.436430 0.312780 Fe\n0.968029 0.385899 0.066115 Si\n0.526635 0.866960 0.062005 Si\n0.804227 0.893208 0.747768 Si\n0.592514 0.334063 0.403468 Si\n0.185720 0.805631 0.403349 Si\n0.246139 0.366010 0.716116 Si\n0.997344 0.646869 0.397725 O\n0.904353 0.292824 0.380618 O\n0.977423 0.950711 0.407113 O\n0.855000 0.403488 0.176587 O\n0.978101 0.850558 0.652692 O\n0.663116 0.020763 0.041750 O\n0.705266 0.828834 0.163074 O\n0.618106 0.499441 0.502171 O\n0.467237 0.182283 0.426986 O\n0.710435 0.357905 0.969593 O\n0.595814 0.741709 0.730374 O\n0.404706 0.360596 0.297716 O\n0.572562 0.398188 0.737787 O\n0.629509 0.046790 0.757908 O\n0.413727 0.853002 0.510421 O\n0.315837 0.770334 0.297756 O\n0.227100 0.918919 0.091170 O\n0.152717 0.230973 0.045649 O\n0.158799 0.539471 0.074132 O\n0.473649 0.712380 0.953132 O\n0.144373 0.213087 0.608000 O\n0.170026 0.331166 0.820398 O\n0.113384 0.527725 0.702220 O\n0.028616 0.909184 0.859498 O\n",
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"elements": [
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],
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"formula_full": "Li3 Fe9 Si6 O24",
"formula_reduced": "LiFe3(SiO4)2",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 1
},
{
"id": "mp-1042775",
"created_at": "2022-09-04T14:45:55.650103Z",
"structure_string": "Zn4 Co4 As8 O28\n1.0\n8.757169 0.000000 0.000000\n0.000000 7.351304 0.000000\n0.000000 3.944825 8.822583\nZn Co As O\n4 4 8 28\ndirect\n0.080282 0.719115 0.889149 Zn\n0.580282 0.280885 0.610851 Zn\n0.919718 0.280885 0.110851 Zn\n0.419718 0.719115 0.389149 Zn\n0.940452 0.183240 0.688392 Co\n0.440452 0.816760 0.811608 Co\n0.059548 0.816760 0.311608 Co\n0.559548 0.183240 0.188392 Co\n0.768684 0.568920 0.755647 As\n0.268684 0.431080 0.744353 As\n0.231316 0.431080 0.244353 As\n0.731316 0.568920 0.255647 As\n0.720765 0.989323 0.958030 As\n0.220765 0.010677 0.541970 As\n0.279235 0.010677 0.041970 As\n0.779235 0.989323 0.458030 As\n0.726454 0.144110 0.052629 O\n0.226454 0.855890 0.447371 O\n0.273546 0.855890 0.947371 O\n0.773546 0.144110 0.552629 O\n0.593533 0.635446 0.788816 O\n0.093533 0.364554 0.711184 O\n0.406467 0.364554 0.211184 O\n0.906467 0.635446 0.288816 O\n0.901231 0.536569 0.895081 O\n0.401231 0.463431 0.604919 O\n0.098769 0.463431 0.104919 O\n0.598769 0.536569 0.395081 O\n0.847752 0.751044 0.584204 O\n0.347752 0.248956 0.915796 O\n0.152248 0.248956 0.415796 O\n0.652248 0.751044 0.084204 O\n0.922203 0.039146 0.326906 O\n0.422203 0.960854 0.173094 O\n0.077797 0.960854 0.673094 O\n0.577797 0.039146 0.826906 O\n0.737250 0.364374 0.213100 O\n0.237250 0.635626 0.286900 O\n0.262750 0.635626 0.786900 O\n0.762750 0.364374 0.713100 O\n0.603769 0.959844 0.391163 O\n0.103769 0.040156 0.108837 O\n0.396231 0.040156 0.608837 O\n0.896231 0.959844 0.891163 O\n",
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{
"id": "mp-861605",
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"structure_string": "Ac1 H3\n1.0\n0.000000 2.902940 2.902940\n2.902940 0.000000 2.902940\n2.902940 2.902940 0.000000\nAc H\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.250000 0.250000 0.250000 H\n0.750000 0.750000 0.750000 H\n0.500000 0.500000 0.500000 H\n",
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{
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"structure_string": "Ba8 Al16 Si16 O80\n1.0\n37.266944 0.000000 0.000000\n0.000000 5.378752 0.000000\n0.000000 0.030531 8.093613\nBa Al Si O\n8 16 16 80\ndirect\n0.000000 0.014205 0.958187 Ba\n0.251108 0.006263 0.962989 Ba\n0.748892 0.006263 0.962989 Ba\n0.500000 0.993818 0.962163 Ba\n0.123662 0.516256 0.962885 Ba\n0.876338 0.516256 0.962885 Ba\n0.374131 0.493867 0.960042 Ba\n0.625869 0.493867 0.960042 Ba\n0.041606 0.514255 0.702030 Al\n0.958394 0.514255 0.702030 Al\n0.290205 0.496667 0.710650 Al\n0.709795 0.496667 0.710650 Al\n0.166151 0.019020 0.704585 Al\n0.833849 0.019020 0.704585 Al\n0.416224 0.996579 0.714370 Al\n0.583776 0.996579 0.714370 Al\n0.207040 0.518671 0.706139 Al\n0.792960 0.518671 0.706139 Al\n0.458172 0.496509 0.714845 Al\n0.541828 0.496509 0.714845 Al\n0.083228 0.014163 0.702727 Al\n0.916772 0.014163 0.702727 Al\n0.332490 0.996509 0.712218 Al\n0.667510 0.996509 0.712218 Al\n0.041685 0.515895 0.289535 Si\n0.958315 0.515895 0.289535 Si\n0.291813 0.504840 0.298291 Si\n0.708187 0.504840 0.298291 Si\n0.166905 0.013650 0.291873 Si\n0.833095 0.013650 0.291873 Si\n0.416803 0.001369 0.301878 Si\n0.583197 0.001369 0.301878 Si\n0.208491 0.512834 0.293565 Si\n0.791509 0.512834 0.293565 Si\n0.458366 0.501071 0.302386 Si\n0.541634 0.501071 0.302386 Si\n0.083497 0.015747 0.290125 Si\n0.916503 0.015747 0.290125 Si\n0.333562 0.004082 0.299947 Si\n0.666438 0.004082 0.299947 Si\n0.041620 0.515389 0.483966 O\n0.958380 0.515389 0.483966 O\n0.291569 0.501856 0.492930 O\n0.708431 0.501856 0.492930 O\n0.166572 0.013855 0.486357 O\n0.833428 0.013855 0.486357 O\n0.416587 0.999148 0.496670 O\n0.583413 0.999148 0.496670 O\n0.208228 0.513892 0.488069 O\n0.791772 0.513892 0.488069 O\n0.458293 0.499126 0.497172 O\n0.541707 0.499126 0.497172 O\n0.083228 0.015408 0.484568 O\n0.916772 0.015408 0.484568 O\n0.333313 0.002407 0.494634 O\n0.666687 0.002407 0.494634 O\n0.000000 0.421862 0.781958 O\n0.247966 0.417811 0.789138 O\n0.752034 0.417811 0.789138 O\n0.500000 0.415365 0.796645 O\n0.124710 0.920337 0.783441 O\n0.875290 0.920337 0.783441 O\n0.374264 0.917172 0.795483 O\n0.625736 0.917172 0.795483 O\n0.000000 0.515280 0.208870 O\n0.250419 0.509042 0.215579 O\n0.749581 0.509042 0.215579 O\n0.500000 0.502879 0.222543 O\n0.125235 0.013527 0.210380 O\n0.874765 0.013527 0.210380 O\n0.375248 0.004625 0.220924 O\n0.624752 0.004625 0.220924 O\n0.062844 0.267173 0.209173 O\n0.937156 0.267173 0.209173 O\n0.312835 0.254884 0.219198 O\n0.687165 0.254884 0.219198 O\n0.188086 0.764596 0.212165 O\n0.811914 0.764596 0.212165 O\n0.437587 0.751571 0.222487 O\n0.562413 0.751571 0.222487 O\n0.187703 0.264310 0.212008 O\n0.812297 0.264310 0.212008 O\n0.437690 0.251455 0.222298 O\n0.562310 0.251455 0.222298 O\n0.062443 0.767010 0.209141 O\n0.937557 0.767010 0.209141 O\n0.312917 0.754703 0.219192 O\n0.687083 0.754703 0.219192 O\n0.050857 0.809615 0.782131 O\n0.949143 0.809615 0.782131 O\n0.301612 0.785018 0.793613 O\n0.698388 0.785018 0.793613 O\n0.173687 0.318859 0.781476 O\n0.826313 0.318859 0.781476 O\n0.427042 0.286777 0.796697 O\n0.572958 0.286777 0.796697 O\n0.199129 0.818234 0.783712 O\n0.800871 0.818234 0.783712 O\n0.447194 0.786494 0.797192 O\n0.552806 0.786494 0.797192 O\n0.073751 0.309337 0.782487 O\n0.926249 0.309337 0.782487 O\n0.320769 0.284682 0.795740 O\n0.679231 0.284682 0.795740 O\n0.000000 0.018073 0.553186 O\n0.251454 0.007807 0.563182 O\n0.748546 0.007807 0.563182 O\n0.500000 0.994848 0.574405 O\n0.124391 0.518722 0.552537 O\n0.875609 0.518722 0.552537 O\n0.375016 0.500402 0.573360 O\n0.624984 0.500402 0.573360 O\n0.000000 0.014849 0.400954 O\n0.249600 0.007981 0.411150 O\n0.750400 0.007981 0.411150 O\n0.500000 0.000653 0.422259 O\n0.125261 0.513072 0.400353 O\n0.874739 0.513072 0.400353 O\n0.375086 0.501044 0.421228 O\n0.624914 0.501044 0.421228 O\n",
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{
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"structure_string": "Yb1 Mg1 In2\n1.0\n0.000000 3.693782 3.693782\n3.693782 0.000000 3.693782\n3.693782 3.693782 0.000000\nYb Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
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{
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