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{
"id": "mp-775286",
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"structure_string": "Li2 Fe3 Ni1 O8\n1.0\n5.872700 0.069601 0.049215\n2.996627 5.051107 0.049215\n2.996627 1.730104 4.745825\nLi Fe Ni O\n2 3 1 8\ndirect\n0.121690 0.121690 0.121690 Li\n0.878310 0.878310 0.878310 Li\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Ni\n0.261885 0.261885 0.261885 O\n0.252089 0.252089 0.709443 O\n0.252089 0.709443 0.252089 O\n0.709443 0.252089 0.252089 O\n0.290557 0.747911 0.747911 O\n0.747911 0.290557 0.747911 O\n0.747911 0.747911 0.290557 O\n0.738115 0.738115 0.738115 O\n",
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{
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{
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"structure_string": "Co8 Br8 O8\n1.0\n5.881289 0.000000 0.000000\n0.000000 6.362369 0.000000\n0.000000 0.000000 12.676452\nCo Br O\n8 8 8\ndirect\n0.207559 0.134036 0.504995 Co\n0.707559 0.865964 0.995005 Co\n0.792441 0.365964 0.004995 Co\n0.292441 0.634036 0.495005 Co\n0.792441 0.865964 0.495005 Co\n0.292441 0.134036 0.004995 Co\n0.207559 0.634036 0.995005 Co\n0.707559 0.365964 0.504995 Co\n0.930965 0.092223 0.142087 Br\n0.430965 0.907777 0.357913 Br\n0.069035 0.407777 0.642087 Br\n0.569035 0.592223 0.857913 Br\n0.069035 0.907777 0.857913 Br\n0.569035 0.092223 0.642087 Br\n0.930965 0.592223 0.357913 Br\n0.430965 0.407777 0.142087 Br\n0.888688 0.144419 0.451587 O\n0.388688 0.855581 0.048413 O\n0.111312 0.355581 0.951587 O\n0.611312 0.644419 0.548413 O\n0.111312 0.855581 0.548413 O\n0.611312 0.144419 0.951587 O\n0.888688 0.644419 0.048413 O\n0.388688 0.355581 0.451587 O\n",
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},
{
"id": "mp-1019520",
"created_at": "2022-09-04T14:40:07.781262Z",
"structure_string": "Ba6 Ca4 Si4 N12\n1.0\n3.441999 5.074420 0.000000\n-3.441999 5.074420 0.000000\n0.000000 2.769314 13.152588\nBa Ca Si N\n6 4 4 12\ndirect\n0.596610 0.403390 0.750000 Ba\n0.403390 0.596610 0.250000 Ba\n0.202559 0.678661 0.992652 Ba\n0.321339 0.797441 0.507348 Ba\n0.797441 0.321339 0.007348 Ba\n0.678661 0.202559 0.492652 Ba\n0.909726 0.787408 0.718527 Ca\n0.212592 0.090274 0.781473 Ca\n0.090274 0.212592 0.281473 Ca\n0.787408 0.909726 0.218527 Ca\n0.072155 0.369447 0.579549 Si\n0.630553 0.927845 0.920451 Si\n0.927845 0.630553 0.420451 Si\n0.369447 0.072155 0.079549 Si\n0.016819 0.109595 0.630060 N\n0.890405 0.983181 0.869940 N\n0.983181 0.890405 0.369940 N\n0.109595 0.016819 0.130060 N\n0.803371 0.622128 0.553954 N\n0.377872 0.196629 0.946046 N\n0.196629 0.377872 0.446046 N\n0.622128 0.803371 0.053954 N\n0.230129 0.434415 0.660671 N\n0.565585 0.769871 0.839329 N\n0.769871 0.565585 0.339329 N\n0.434415 0.230129 0.160671 N\n",
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],
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"volume": 459.4501120597294,
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"formula_full": "Ba6 Ca4 Si4 N12",
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"spacegroup": 15
},
{
"id": "mp-14246",
"created_at": "2022-09-04T14:40:07.783400Z",
"structure_string": "Ba12 Al24 S48\n1.0\n12.796808 0.000000 0.000000\n0.000000 12.796808 0.000000\n0.000000 0.000000 12.796808\nBa Al S\n12 24 48\ndirect\n0.372794 0.127206 0.872794 Ba\n0.127206 0.872794 0.372794 Ba\n0.872794 0.372794 0.127206 Ba\n0.627206 0.627206 0.627206 Ba\n0.627206 0.872794 0.127206 Ba\n0.872794 0.127206 0.627206 Ba\n0.127206 0.627206 0.872794 Ba\n0.372794 0.372794 0.372794 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.643380 0.626465 0.304027 Al\n0.695973 0.356620 0.373535 Al\n0.195973 0.143380 0.626465 Al\n0.304027 0.856620 0.126465 Al\n0.143380 0.626465 0.195973 Al\n0.126465 0.304027 0.856620 Al\n0.626465 0.195973 0.143380 Al\n0.356620 0.373535 0.695973 Al\n0.373535 0.695973 0.356620 Al\n0.856620 0.126465 0.304027 Al\n0.643380 0.873535 0.804027 Al\n0.873535 0.804027 0.643380 Al\n0.195973 0.356620 0.126465 Al\n0.126465 0.195973 0.356620 Al\n0.356620 0.126465 0.195973 Al\n0.143380 0.873535 0.695973 Al\n0.626465 0.304027 0.643380 Al\n0.804027 0.643380 0.873535 Al\n0.373535 0.804027 0.856620 Al\n0.873535 0.695973 0.143380 Al\n0.856620 0.373535 0.804027 Al\n0.695973 0.143380 0.873535 Al\n0.804027 0.856620 0.373535 Al\n0.304027 0.643380 0.626465 Al\n0.727853 0.525182 0.420768 S\n0.772147 0.474818 0.920768 S\n0.920768 0.772147 0.474818 S\n0.474818 0.920768 0.772147 S\n0.025182 0.079232 0.272147 S\n0.420768 0.727853 0.525182 S\n0.525182 0.420768 0.727853 S\n0.579232 0.227853 0.974818 S\n0.079232 0.272147 0.025182 S\n0.974818 0.579232 0.227853 S\n0.272147 0.025182 0.079232 S\n0.227853 0.974818 0.579232 S\n0.359812 0.291004 0.128669 S\n0.128669 0.359812 0.291004 S\n0.291004 0.128669 0.359812 S\n0.208996 0.871331 0.859812 S\n0.628669 0.140188 0.708996 S\n0.708996 0.628669 0.140188 S\n0.371331 0.640188 0.791004 S\n0.871331 0.859812 0.208996 S\n0.791004 0.371331 0.640188 S\n0.859812 0.208996 0.871331 S\n0.640188 0.791004 0.371331 S\n0.140188 0.708996 0.628669 S\n0.640188 0.708996 0.871331 S\n0.871331 0.640188 0.708996 S\n0.708996 0.871331 0.640188 S\n0.791004 0.128669 0.140188 S\n0.371331 0.859812 0.291004 S\n0.291004 0.371331 0.859812 S\n0.628669 0.359812 0.208996 S\n0.128669 0.140188 0.791004 S\n0.208996 0.628669 0.359812 S\n0.140188 0.791004 0.128669 S\n0.359812 0.208996 0.628669 S\n0.859812 0.291004 0.371331 S\n0.227853 0.525182 0.079232 S\n0.079232 0.227853 0.525182 S\n0.525182 0.079232 0.227853 S\n0.272147 0.474818 0.579232 S\n0.579232 0.272147 0.474818 S\n0.474818 0.579232 0.272147 S\n0.420768 0.772147 0.025182 S\n0.920768 0.727853 0.974818 S\n0.025182 0.420768 0.772147 S\n0.727853 0.974818 0.920768 S\n0.772147 0.025182 0.420768 S\n0.974818 0.920768 0.727853 S\n",
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"volume": 2095.583459379855,
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"formula_full": "Ba12 Al24 S48",
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"spacegroup": 205
},
{
"id": "mp-13478",
"created_at": "2022-09-04T14:40:07.785661Z",
"structure_string": "Sm2 Co2 Si4\n1.0\n2.055308 -8.130848 0.000000\n2.055308 8.130848 0.000000\n0.000000 0.000000 4.044318\nSm Co Si\n2 2 4\ndirect\n0.106745 0.893255 0.250000 Sm\n0.893255 0.106745 0.750000 Sm\n0.681190 0.318810 0.750000 Co\n0.318810 0.681190 0.250000 Co\n0.750216 0.249784 0.250000 Si\n0.249784 0.750216 0.750000 Si\n0.543133 0.456867 0.750000 Si\n0.456867 0.543133 0.250000 Si\n",
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"formula_full": "Sm2 Co2 Si4",
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{
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{
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"structure_string": "Tl4 Re12 S16 Cl8\n1.0\n6.436357 0.000000 0.000000\n-0.969679 9.147198 0.000000\n-0.797005 -1.877496 17.067700\nTl Re S Cl\n4 12 16 8\ndirect\n0.534134 0.491009 0.844419 Tl\n0.041355 0.988422 0.332099 Tl\n0.958645 0.011578 0.667901 Tl\n0.465866 0.508991 0.155581 Tl\n0.224868 0.474994 0.461571 Re\n0.422630 0.409550 0.588050 Re\n0.723763 0.927010 0.004128 Re\n0.070542 0.897742 0.083819 Re\n0.929458 0.102258 0.916181 Re\n0.540350 0.316410 0.449353 Re\n0.775132 0.525006 0.538429 Re\n0.276237 0.072990 0.995872 Re\n0.459650 0.683590 0.550647 Re\n0.040659 0.839375 0.928798 Re\n0.959341 0.160625 0.071202 Re\n0.577370 0.590450 0.411950 Re\n0.229021 0.015112 0.855092 S\n0.156009 0.309150 0.983954 S\n0.770979 0.984888 0.144908 S\n0.646990 0.186916 0.991297 S\n0.353010 0.813084 0.008703 S\n0.142607 0.565911 0.598140 S\n0.283626 0.122304 0.137008 S\n0.279593 0.725130 0.429755 S\n0.857393 0.434089 0.401860 S\n0.716374 0.877696 0.862992 S\n0.648301 0.609214 0.663022 S\n0.351699 0.390786 0.336978 S\n0.843991 0.690850 0.016046 S\n0.210765 0.227109 0.497945 S\n0.720407 0.274870 0.570245 S\n0.789235 0.772891 0.502055 S\n0.834082 0.233455 0.807112 Cl\n0.582427 0.078670 0.381944 Cl\n0.088014 0.632079 0.835630 Cl\n0.417573 0.921330 0.618056 Cl\n0.680558 0.707769 0.297226 Cl\n0.911986 0.367921 0.164370 Cl\n0.319442 0.292231 0.702774 Cl\n0.165918 0.766545 0.192888 Cl\n",
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{
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