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{
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{
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"structure_string": "Eu1 Nb1 Ga1 Sn1 O6\n1.0\n-0.000000 -3.997835 -3.997835\n3.997835 -0.000000 -3.997835\n3.997835 -3.997835 0.000000\nEu Nb Ga Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Nb\n0.000000 -0.000000 -0.000000 Ga\n0.750000 0.750000 0.750000 Sn\n0.751578 0.248422 0.248422 O\n0.248422 0.751578 0.751578 O\n0.751578 0.248422 0.751578 O\n0.248422 0.751578 0.248422 O\n0.751578 0.751578 0.248422 O\n0.248422 0.248422 0.751578 O\n",
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"formula_full": "Eu1 Nb1 Ga1 Sn1 O6",
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{
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{
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"structure_string": "Ti8 As16\n1.0\n3.535911 0.000000 0.000000\n0.000000 8.574921 0.000000\n0.000000 0.000000 15.357021\nTi As\n8 16\ndirect\n0.500000 0.416094 0.283822 Ti\n0.000000 0.658387 0.018267 Ti\n0.500000 0.583906 0.716178 Ti\n0.500000 0.841613 0.518267 Ti\n0.000000 0.083906 0.783822 Ti\n0.500000 0.158387 0.481733 Ti\n0.000000 0.916094 0.216178 Ti\n0.000000 0.341613 0.981733 Ti\n0.500000 0.536885 0.899758 As\n0.500000 0.717556 0.266612 As\n0.000000 0.963115 0.399758 As\n0.000000 0.782444 0.766612 As\n0.000000 0.102350 0.081038 As\n0.000000 0.327584 0.398716 As\n0.000000 0.672416 0.601284 As\n0.500000 0.172416 0.898716 As\n0.500000 0.602350 0.418962 As\n0.500000 0.397650 0.581038 As\n0.000000 0.217556 0.233388 As\n0.000000 0.036885 0.600242 As\n0.500000 0.282444 0.733388 As\n0.500000 0.463115 0.100242 As\n0.500000 0.827584 0.101284 As\n0.000000 0.897650 0.918962 As\n",
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"spacegroup": 58
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{
"id": "mp-1239222",
"created_at": "2022-09-04T14:42:25.323466Z",
"structure_string": "Nb1 Cr3 Cu2 S8\n1.0\n-3.480253 -6.028304 -0.000201\n-5.130695 2.962365 0.143322\n0.125299 -0.072586 -5.848565\nNb Cr Cu S\n1 3 2 8\ndirect\n0.500000 0.000000 0.500000 Nb\n0.250080 0.500025 0.500002 Cr\n0.749920 0.499975 0.499998 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000012 0.323335 0.280273 S\n0.500006 0.331922 0.260148 S\n0.243390 0.820223 0.254067 S\n0.756617 0.820243 0.254074 S\n0.243383 0.179757 0.745926 S\n0.756610 0.179777 0.745933 S\n0.499994 0.668078 0.739852 S\n0.999988 0.676665 0.719727 S\n",
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"volume": 241.04549685985856,
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"formula_full": "Nb1 Cr3 Cu2 S8",
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{
"id": "mp-764938",
"created_at": "2022-09-04T14:42:25.327833Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n-5.287204 0.000000 0.000000\n-0.030804 -9.071023 0.000000\n2.527658 4.489694 10.124084\nLi Fe B O\n3 8 8 24\ndirect\n0.600446 0.944985 0.904169 Li\n0.935114 0.569763 0.165498 Li\n0.674963 0.332976 0.652215 Li\n0.406250 0.734890 0.126708 Fe\n0.098385 0.774514 0.875661 Fe\n0.847683 0.859966 0.383501 Fe\n0.651304 0.653385 0.628375 Fe\n0.349290 0.353566 0.372944 Fe\n0.152809 0.150184 0.628853 Fe\n0.901914 0.214897 0.131887 Fe\n0.593675 0.274065 0.880150 Fe\n0.651895 0.985532 0.633218 B\n0.889357 0.883466 0.123616 B\n0.138534 0.482278 0.624959 B\n0.404982 0.406058 0.130093 B\n0.849861 0.518821 0.378674 B\n0.594443 0.603971 0.871835 B\n0.353561 0.020581 0.375015 B\n0.109012 0.109082 0.881903 B\n0.120577 0.850173 0.085441 O\n0.473662 0.877854 0.325622 O\n0.234387 0.980057 0.885528 O\n0.547554 0.859451 0.648503 O\n0.856442 0.969933 0.572356 O\n0.795664 0.777560 0.172449 O\n0.280875 0.540019 0.131834 O\n0.027974 0.628891 0.662707 O\n0.693845 0.710750 0.827317 O\n0.631659 0.525562 0.430977 O\n0.927346 0.645649 0.354951 O\n0.396609 0.652576 0.935622 O\n0.634994 0.374751 0.083385 O\n0.380593 0.474285 0.587316 O\n0.304616 0.304571 0.177301 O\n0.976452 0.379082 0.343135 O\n0.690390 0.457670 0.850229 O\n0.220552 0.219195 0.845608 O\n0.131770 0.013707 0.418490 O\n0.459660 0.162740 0.385448 O\n0.021273 0.351075 0.626658 O\n0.752719 0.002695 0.106020 O\n0.557235 0.138500 0.679343 O\n0.864969 0.135352 0.915888 O\n",
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{
"id": "mp-771267",
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"structure_string": "Li2 Zn2 Fe14 O24\n1.0\n3.021758 5.228613 0.000000\n-3.021758 5.228613 0.000000\n0.000000 0.066607 14.775244\nLi Zn Fe O\n2 2 14 24\ndirect\n0.000466 0.000466 0.751053 Li\n0.333041 0.333041 0.415053 Li\n0.334769 0.334769 0.041915 Zn\n0.169395 0.169395 0.210183 Zn\n0.999360 0.999360 0.998396 Fe\n0.171621 0.661050 0.208573 Fe\n0.673199 0.673199 0.085156 Fe\n0.996314 0.996314 0.379024 Fe\n0.838330 0.838330 0.541644 Fe\n0.659918 0.659918 0.334971 Fe\n0.661050 0.171621 0.208573 Fe\n0.322476 0.839026 0.540173 Fe\n0.839026 0.322476 0.540173 Fe\n0.501025 0.996107 0.873112 Fe\n0.666647 0.666647 0.712220 Fe\n0.501477 0.501477 0.872799 Fe\n0.334092 0.334092 0.664721 Fe\n0.996107 0.501025 0.873112 Fe\n0.836425 0.310693 0.292812 O\n0.014994 0.502949 0.126231 O\n0.498154 0.498154 0.129264 O\n0.339964 0.339964 0.277326 O\n0.664737 0.664737 0.466970 O\n0.839474 0.839474 0.289562 O\n0.997442 0.997442 0.130480 O\n0.310693 0.836425 0.292812 O\n0.509562 0.982431 0.623307 O\n0.693473 0.150367 0.463258 O\n0.502949 0.014994 0.126231 O\n0.150367 0.693473 0.463258 O\n0.365703 0.816130 0.796685 O\n0.150564 0.150564 0.461381 O\n0.817234 0.817234 0.797205 O\n0.001522 0.001522 0.614458 O\n0.173495 0.173495 0.952460 O\n0.332083 0.332083 0.797298 O\n0.509087 0.509087 0.622952 O\n0.652435 0.175085 0.951366 O\n0.982431 0.509562 0.623307 O\n0.175085 0.652435 0.951366 O\n0.816130 0.365703 0.796685 O\n0.667662 0.667662 0.952481 O\n",
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{
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"created_at": "2022-09-04T14:42:25.338272Z",
"structure_string": "Ce2 Se4\n1.0\n-4.658382 5.132337 7.577509\n4.658382 -5.132337 7.577509\n4.658382 5.132337 -7.577509\nCe Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.116450 0.310823 0.194373 Se\n0.883550 0.689177 0.805627 Se\n0.383550 0.077922 0.694373 Se\n0.616450 0.922078 0.305627 Se\n",
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{
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"structure_string": "Ca8 Mn4 O16\n1.0\n5.251151 0.000049 0.000201\n0.000049 5.251179 0.000197\n2.626065 2.626068 12.203373\nCa Mn O\n8 4 16\ndirect\n0.449541 0.699434 0.101023 Ca\n0.300605 0.550487 0.398976 Ca\n0.800483 0.050479 0.398976 Ca\n0.949421 0.199438 0.101025 Ca\n0.199439 0.949543 0.601028 Ca\n0.050503 0.800622 0.898974 Ca\n0.550558 0.300558 0.898972 Ca\n0.699524 0.449516 0.601028 Ca\n0.125093 0.374978 0.750000 Mn\n0.875157 0.624756 0.249991 Mn\n0.624867 0.875043 0.750001 Mn\n0.374786 0.124863 0.250003 Mn\n0.544025 0.794198 0.911650 O\n0.205910 0.456055 0.588360 O\n0.705861 0.955981 0.588353 O\n0.044141 0.294236 0.911644 O\n0.294035 0.044060 0.411649 O\n0.955951 0.705853 0.088350 O\n0.455870 0.205813 0.088349 O\n0.794171 0.543997 0.411648 O\n0.077164 0.327069 0.249977 O\n0.672851 0.922739 0.250023 O\n0.577202 0.422711 0.249995 O\n0.172853 0.827021 0.250004 O\n0.422824 0.577297 0.749998 O\n0.827188 0.172967 0.750002 O\n0.922815 0.672952 0.750022 O\n0.327163 0.077334 0.749980 O\n",
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{
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{
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},
{
"id": "mp-1196664",
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"structure_string": "H26 Ru2 N10 Cl4 O4\n1.0\n3.812095 5.760838 0.000000\n-3.812095 5.760838 0.000000\n0.000000 3.567779 10.640608\nH Ru N Cl O\n26 2 10 4 4\ndirect\n0.896895 0.896895 0.819933 H\n0.103105 0.103105 0.180067 H\n0.068379 0.428749 0.880985 H\n0.428749 0.068379 0.880985 H\n0.931621 0.571251 0.119015 H\n0.571251 0.931621 0.119015 H\n0.938721 0.272007 0.975770 H\n0.272007 0.938721 0.975770 H\n0.061279 0.727993 0.024230 H\n0.727993 0.061279 0.024230 H\n0.824018 0.459444 0.861985 H\n0.459444 0.824018 0.861985 H\n0.175982 0.540556 0.138015 H\n0.540556 0.175982 0.138015 H\n0.741551 0.375111 0.697760 H\n0.375111 0.741551 0.697760 H\n0.258449 0.624889 0.302240 H\n0.624889 0.258449 0.302240 H\n0.825878 0.146940 0.645284 H\n0.146940 0.825878 0.645284 H\n0.174122 0.853060 0.354716 H\n0.853060 0.174122 0.354716 H\n0.924107 0.336229 0.564521 H\n0.336229 0.924107 0.564521 H\n0.075893 0.663771 0.435479 H\n0.663771 0.075893 0.435479 H\n0.124765 0.124765 0.761100 Ru\n0.875235 0.875235 0.238900 Ru\n0.275574 0.275574 0.658893 N\n0.724426 0.724426 0.341107 N\n0.966714 0.350028 0.884226 N\n0.350028 0.966714 0.884226 N\n0.033286 0.649972 0.115774 N\n0.649972 0.033286 0.115774 N\n0.873701 0.266248 0.653692 N\n0.266248 0.873701 0.653692 N\n0.126299 0.733752 0.346308 N\n0.733752 0.126299 0.346308 N\n0.430975 0.430975 0.859363 Cl\n0.569025 0.569025 0.140637 Cl\n0.814506 0.814506 0.648160 Cl\n0.185494 0.185494 0.351840 Cl\n0.371190 0.371190 0.579851 O\n0.628810 0.628810 0.420149 O\n0.952494 0.952494 0.870979 O\n0.047506 0.047506 0.129021 O\n",
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]
}