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{
"id": "mp-1187223",
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{
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{
"id": "mp-758139",
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"structure_string": "Sr21 Co14 O43\n1.0\n10.137063 6.203208 0.000000\n-10.137063 6.203208 0.000000\n0.000000 1.307714 8.583042\nSr Co O\n21 14 43\ndirect\n0.707558 0.707558 0.860159 Sr\n0.531559 0.893815 0.856213 Sr\n0.893815 0.531559 0.856213 Sr\n0.000000 0.000000 0.000000 Sr\n0.184645 0.815355 0.000000 Sr\n0.815355 0.184645 0.000000 Sr\n0.750652 0.388376 0.284804 Sr\n0.106185 0.468441 0.143787 Sr\n0.388376 0.750652 0.284804 Sr\n0.566831 0.566831 0.276841 Sr\n0.292442 0.292442 0.139841 Sr\n0.468441 0.106185 0.143787 Sr\n0.326523 0.961842 0.571243 Sr\n0.961842 0.326523 0.571243 Sr\n0.038158 0.673477 0.428757 Sr\n0.855018 0.855018 0.431072 Sr\n0.673477 0.038158 0.428757 Sr\n0.144982 0.144982 0.568928 Sr\n0.249348 0.611624 0.715196 Sr\n0.611624 0.249348 0.715196 Sr\n0.433169 0.433169 0.723159 Sr\n0.315077 0.110642 0.855571 Co\n0.110642 0.315077 0.855571 Co\n0.595065 0.404935 0.000000 Co\n0.889358 0.684923 0.144429 Co\n0.684923 0.889358 0.144429 Co\n0.404935 0.595065 0.000000 Co\n0.459863 0.255886 0.431289 Co\n0.176284 0.972964 0.287124 Co\n0.255886 0.459863 0.431289 Co\n0.972964 0.176284 0.287124 Co\n0.744114 0.540137 0.568711 Co\n0.540137 0.744114 0.568711 Co\n0.823716 0.027036 0.712876 Co\n0.027036 0.823716 0.712876 Co\n0.781453 0.948021 0.915993 O\n0.948021 0.781453 0.915993 O\n0.407232 0.011871 0.857753 O\n0.011871 0.407232 0.857753 O\n0.744067 0.566738 0.076562 O\n0.255933 0.433262 0.923438 O\n0.433262 0.255933 0.923438 O\n0.308759 0.691241 0.000000 O\n0.691241 0.308759 0.000000 O\n0.566738 0.744067 0.076562 O\n0.500000 0.500000 0.000000 O\n0.002491 0.834210 0.212802 O\n0.512224 0.334152 0.228238 O\n0.334152 0.512224 0.228238 O\n0.218547 0.051979 0.084007 O\n0.988129 0.592768 0.142247 O\n0.051979 0.218547 0.084007 O\n0.834210 0.002491 0.212802 O\n0.592768 0.988129 0.142247 O\n0.127512 0.298413 0.359540 O\n0.298413 0.127512 0.359540 O\n0.625408 0.794368 0.367635 O\n0.158047 0.552838 0.433466 O\n0.262817 0.870180 0.285982 O\n0.794368 0.625408 0.367635 O\n0.552838 0.158047 0.433466 O\n0.870180 0.262817 0.285982 O\n0.414443 0.585557 0.500000 O\n0.447162 0.841953 0.566534 O\n0.585557 0.414443 0.500000 O\n0.916009 0.083991 0.500000 O\n0.205632 0.374592 0.632365 O\n0.374592 0.205632 0.632365 O\n0.083991 0.916009 0.500000 O\n0.841953 0.447162 0.566534 O\n0.872488 0.701587 0.640460 O\n0.701587 0.872488 0.640460 O\n0.737183 0.129820 0.714018 O\n0.165790 0.997509 0.787198 O\n0.129820 0.737183 0.714018 O\n0.997509 0.165790 0.787198 O\n0.665848 0.487776 0.771762 O\n0.487776 0.665848 0.771762 O\n",
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"volume": 1079.4430206913182,
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{
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"created_at": "2022-09-04T14:40:16.067441Z",
"structure_string": "Y2 Al3 Si2\n1.0\n2.019673 5.110790 0.000000\n-2.019673 5.110790 0.000000\n0.000000 1.276283 6.516263\nY Al Si\n2 3 2\ndirect\n0.620090 0.620090 0.677564 Y\n0.379910 0.379910 0.322436 Y\n0.305584 0.305584 0.866607 Al\n0.000000 0.000000 0.000000 Al\n0.694416 0.694416 0.133393 Al\n0.092690 0.092690 0.359446 Si\n0.907310 0.907310 0.640554 Si\n",
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{
"id": "mp-1264321",
"created_at": "2022-09-04T14:40:15.663615Z",
"structure_string": "Al16 Bi12 Se48\n1.0\n5.445728 -5.499069 0.000000\n5.445728 5.499069 0.000000\n0.000000 0.000000 38.723994\nAl Bi Se\n16 12 48\ndirect\n0.000000 0.500000 0.243292 Al\n0.000000 0.500000 0.914598 Al\n0.000000 0.500000 0.663489 Al\n0.000000 0.500000 0.994582 Al\n0.000000 0.500000 0.414598 Al\n0.000000 0.500000 0.743292 Al\n0.500000 0.000000 0.505418 Al\n0.500000 0.000000 0.836511 Al\n0.500000 0.000000 0.756708 Al\n0.500000 0.000000 0.085402 Al\n0.500000 0.000000 0.256708 Al\n0.500000 0.000000 0.585402 Al\n0.000000 0.500000 0.494582 Al\n0.000000 0.500000 0.163489 Al\n0.500000 0.000000 0.336511 Al\n0.500000 0.000000 0.005418 Al\n0.000000 0.000000 0.292497 Bi\n0.000000 0.000000 0.626133 Bi\n0.000000 0.000000 0.958679 Bi\n0.500000 0.500000 0.541321 Bi\n0.500000 0.500000 0.873867 Bi\n0.500000 0.500000 0.207503 Bi\n0.500000 0.500000 0.458679 Bi\n0.500000 0.500000 0.792497 Bi\n0.500000 0.500000 0.126133 Bi\n0.000000 0.000000 0.373867 Bi\n0.000000 0.000000 0.707503 Bi\n0.000000 0.000000 0.041321 Bi\n0.339781 0.179499 0.294971 Se\n0.346506 0.169784 0.625342 Se\n0.322205 0.208939 0.972902 Se\n0.291061 0.177795 0.472902 Se\n0.320501 0.160219 0.794971 Se\n0.330216 0.153494 0.125342 Se\n0.835593 0.320507 0.456362 Se\n0.819448 0.294116 0.776935 Se\n0.839685 0.329296 0.124293 Se\n0.660219 0.820501 0.294971 Se\n0.653494 0.830216 0.625342 Se\n0.677795 0.791061 0.972902 Se\n0.320507 0.835593 0.543638 Se\n0.329296 0.839685 0.875707 Se\n0.294116 0.819448 0.223065 Se\n0.169784 0.346506 0.374658 Se\n0.179499 0.339781 0.705029 Se\n0.208939 0.322205 0.027098 Se\n0.339685 0.829296 0.375707 Se\n0.319448 0.794116 0.723065 Se\n0.335593 0.820507 0.043638 Se\n0.794116 0.319448 0.276935 Se\n0.829296 0.339685 0.624293 Se\n0.820507 0.335593 0.956362 Se\n0.830216 0.653494 0.374658 Se\n0.820501 0.660219 0.705029 Se\n0.791061 0.677795 0.027098 Se\n0.679493 0.164407 0.543638 Se\n0.670704 0.160315 0.875707 Se\n0.705884 0.180552 0.223065 Se\n0.205884 0.680552 0.276935 Se\n0.170704 0.660315 0.624293 Se\n0.179493 0.664407 0.956362 Se\n0.708939 0.822205 0.472902 Se\n0.679499 0.839781 0.794971 Se\n0.669784 0.846506 0.125342 Se\n0.164407 0.679493 0.456362 Se\n0.180552 0.705884 0.776935 Se\n0.160315 0.670704 0.124293 Se\n0.822205 0.708939 0.527098 Se\n0.846506 0.669784 0.874658 Se\n0.839781 0.679499 0.205029 Se\n0.177795 0.291061 0.527098 Se\n0.153494 0.330216 0.874658 Se\n0.160219 0.320501 0.205029 Se\n0.660315 0.170704 0.375707 Se\n0.680552 0.205884 0.723065 Se\n0.664407 0.179493 0.043638 Se\n",
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"formula_full": "Al16 Bi12 Se48",
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{
"id": "mp-761745",
"created_at": "2022-09-04T14:40:15.673241Z",
"structure_string": "Sr2 Cd4 H32 Br12 O16\n1.0\n4.185701 0.000000 0.000000\n0.000000 8.733390 0.000000\n0.000000 0.000000 26.102467\nSr Cd H Br O\n2 4 32 12 16\ndirect\n0.500000 0.329951 0.000000 Sr\n0.000000 0.670049 0.500000 Sr\n0.035332 0.863323 0.193104 Cd\n0.535332 0.136677 0.306896 Cd\n0.464668 0.136677 0.693104 Cd\n0.964668 0.863323 0.806896 Cd\n0.909738 0.611178 0.025465 H\n0.498313 0.968916 0.029876 H\n0.966551 0.126656 0.067086 H\n0.274715 0.512960 0.091383 H\n0.969594 0.287035 0.095110 H\n0.594156 0.599968 0.093781 H\n0.200379 0.434240 0.172869 H\n0.881054 0.345893 0.177906 H\n0.381054 0.654107 0.322094 H\n0.700379 0.565760 0.327131 H\n0.094156 0.400032 0.406219 H\n0.469594 0.712965 0.404890 H\n0.774715 0.487040 0.408617 H\n0.466551 0.873344 0.432914 H\n0.998313 0.031084 0.470124 H\n0.409738 0.388822 0.474535 H\n0.590262 0.388822 0.525465 H\n0.001687 0.031084 0.529876 H\n0.533449 0.873344 0.567086 H\n0.225285 0.487040 0.591383 H\n0.530406 0.712965 0.595110 H\n0.905844 0.400032 0.593781 H\n0.299621 0.565760 0.672869 H\n0.618946 0.654107 0.677906 H\n0.118946 0.345893 0.822094 H\n0.799621 0.434240 0.827131 H\n0.405844 0.599968 0.906219 H\n0.030406 0.287035 0.904890 H\n0.725285 0.512960 0.908617 H\n0.033449 0.126656 0.932914 H\n0.501687 0.968916 0.970124 H\n0.090262 0.611178 0.974535 H\n0.994516 0.838637 0.087313 Br\n0.543439 0.083997 0.193110 Br\n0.522616 0.658273 0.210206 Br\n0.022616 0.341727 0.289794 Br\n0.043439 0.916003 0.306890 Br\n0.494516 0.161363 0.412687 Br\n0.505484 0.161363 0.587313 Br\n0.956561 0.916003 0.693110 Br\n0.977384 0.341727 0.710206 Br\n0.477384 0.658273 0.789794 Br\n0.456561 0.083997 0.806890 Br\n0.005484 0.838637 0.912687 Br\n0.000000 0.540204 0.000000 O\n0.500000 0.037033 0.000000 O\n0.966046 0.237851 0.060556 O\n0.495120 0.509038 0.078725 O\n0.029637 0.387374 0.152421 O\n0.529637 0.612626 0.347579 O\n0.995120 0.490962 0.421275 O\n0.466046 0.762149 0.439444 O\n0.000000 0.962967 0.500000 O\n0.500000 0.459796 0.500000 O\n0.533954 0.762149 0.560556 O\n0.004880 0.490962 0.578725 O\n0.470363 0.612626 0.652421 O\n0.970363 0.387374 0.847579 O\n0.504880 0.509038 0.921275 O\n0.033954 0.237851 0.939444 O\n",
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],
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"volume": 954.1850586630645,
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"formula_full": "Sr2 Cd4 H32 Br12 O16",
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"spacegroup": 18
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{
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"structure_string": "Fe1 Cl2\n1.0\n6.748006 -1.762234 0.000000\n6.748006 1.762234 0.000000\n6.287800 0.000000 3.017386\nFe Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.736716 0.736716 0.736716 Cl\n0.263284 0.263284 0.263284 Cl\n",
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{
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},
{
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"structure_string": "Mo4 Pt4\n1.0\n2.837067 -4.881410 0.000000\n2.837067 4.881410 0.000000\n0.000000 0.000000 4.503795\nMo Pt\n4 4\ndirect\n0.334811 0.665189 0.000000 Mo\n0.666746 0.333254 0.500000 Mo\n0.820549 0.660927 0.000000 Mo\n0.339073 0.179451 0.000000 Mo\n0.835070 0.164930 0.000000 Pt\n0.166125 0.329585 0.500000 Pt\n0.670415 0.833875 0.500000 Pt\n0.167460 0.832540 0.500000 Pt\n",
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{
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"structure_string": "In8 Ga4 N12\n1.0\n6.262026 -0.108039 0.087414\n-9.961727 5.161439 0.000000\n-0.159457 -0.307756 11.069764\nIn Ga N\n8 4 12\ndirect\n0.490411 0.075767 0.888007 In\n0.509589 0.585356 0.611993 In\n0.509589 0.924233 0.111993 In\n0.490411 0.414644 0.388007 In\n0.490480 0.914509 0.611921 In\n0.509520 0.424030 0.888079 In\n0.509520 0.085491 0.388079 In\n0.490480 0.575970 0.111921 In\n0.500020 0.249945 0.651806 Ga\n0.499980 0.749924 0.848194 Ga\n0.499980 0.750055 0.348194 Ga\n0.500020 0.250076 0.151806 Ga\n0.000000 0.581969 0.750000 N\n0.000000 0.418031 0.250000 N\n0.752711 0.236667 0.575562 N\n0.247289 0.483956 0.924438 N\n0.247289 0.763333 0.424438 N\n0.752711 0.516044 0.075562 N\n0.247416 0.984184 0.075489 N\n0.752584 0.736767 0.424511 N\n0.752584 0.015816 0.924511 N\n0.247416 0.263233 0.575489 N\n0.000000 0.917890 0.750000 N\n0.000000 0.082110 0.250000 N\n",
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{
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"structure_string": "Ba2 Zn1 In1\n1.0\n-6.703487 7.025847 9.288618\n6.703487 -7.025847 9.288618\n6.703487 7.025847 -9.288618\nBa Zn In\n2 1 1\ndirect\n0.740505 0.000000 0.740505 Ba\n0.259495 0.000000 0.259495 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 In\n",
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{
"id": "mp-759326",
"created_at": "2022-09-04T14:40:14.576256Z",
"structure_string": "Li6 Mn11 O2 F24\n1.0\n8.385603 0.000000 0.000000\n-0.027254 8.540299 0.000000\n-2.652932 -2.978379 8.093721\nLi Mn O F\n6 11 2 24\ndirect\n0.411802 0.094274 0.237480 Li\n0.085797 0.210670 0.451802 Li\n0.293855 0.573428 0.936390 Li\n0.704036 0.383496 0.084794 Li\n0.925941 0.802539 0.551073 Li\n0.581075 0.897458 0.741808 Li\n0.285381 0.112447 0.851574 Mn\n0.869996 0.217162 0.740393 Mn\n0.008327 0.000500 0.992197 Mn\n0.484271 0.284123 0.672897 Mn\n0.707608 0.391402 0.474243 Mn\n0.151924 0.355774 0.153830 Mn\n0.868610 0.612778 0.851655 Mn\n0.281975 0.630167 0.573375 Mn\n0.530071 0.720711 0.333608 Mn\n0.126138 0.797767 0.253282 Mn\n0.722204 0.882338 0.156865 Mn\n0.233181 0.133602 0.064962 O\n0.718531 0.404047 0.720810 O\n0.996452 0.001629 0.745443 F\n0.635596 0.069135 0.676925 F\n0.621095 0.100635 0.199049 F\n0.248280 0.147640 0.618901 F\n0.896168 0.234347 0.516892 F\n0.496850 0.288408 0.920594 F\n0.110785 0.392804 0.907533 F\n0.454653 0.293542 0.427348 F\n0.890110 0.249393 0.023520 F\n0.128612 0.404230 0.391763 F\n0.654579 0.492020 0.285795 F\n0.342905 0.504605 0.734586 F\n0.888351 0.627003 0.625122 F\n0.107120 0.755017 0.986416 F\n0.277329 0.592292 0.242447 F\n0.519809 0.691221 0.555011 F\n0.872747 0.660285 0.108194 F\n0.765900 0.860514 0.913887 F\n0.506939 0.705908 0.086172 F\n0.105616 0.762020 0.464213 F\n0.759270 0.858622 0.391914 F\n0.369170 0.875733 0.774079 F\n0.366816 0.920007 0.322503 F\n0.994127 0.008307 0.238659 F\n",
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]
}