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{
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{
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"formula_full": "Mg8 B16 C16",
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{
"id": "mp-867312",
"created_at": "2022-09-04T14:44:12.480882Z",
"structure_string": "K2 Np2 Cu2 S6\n1.0\n1.987514 -6.974865 0.000000\n1.987514 6.974865 0.000000\n0.000000 0.000000 10.190442\nK Np Cu S\n2 2 2 6\ndirect\n0.742987 0.257013 0.250000 K\n0.257013 0.742987 0.750000 K\n0.000000 0.000000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.465794 0.534206 0.250000 Cu\n0.534206 0.465794 0.750000 Cu\n0.376449 0.623551 0.439313 S\n0.060979 0.939021 0.250000 S\n0.376449 0.623551 0.060687 S\n0.623551 0.376449 0.939313 S\n0.939021 0.060979 0.750000 S\n0.623551 0.376449 0.560687 S\n",
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"formula_full": "K2 Np2 Cu2 S6",
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{
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"created_at": "2022-09-04T14:44:12.481669Z",
"structure_string": "Ta10 Si6\n1.0\n3.764678 -6.520614 0.000000\n3.764678 6.520614 0.000000\n0.000000 0.000000 5.279797\nTa Si\n10 6\ndirect\n0.000000 0.754207 0.750000 Ta\n0.000000 0.245793 0.250000 Ta\n0.754207 0.754207 0.250000 Ta\n0.754207 0.000000 0.750000 Ta\n0.245793 0.245793 0.750000 Ta\n0.245793 0.000000 0.250000 Ta\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.000000 Ta\n0.395431 0.000000 0.750000 Si\n0.395431 0.395431 0.250000 Si\n0.000000 0.604569 0.250000 Si\n0.000000 0.395431 0.750000 Si\n0.604569 0.604569 0.750000 Si\n0.604569 0.000000 0.250000 Si\n",
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"formula_full": "Ta10 Si6",
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{
"id": "mp-1192780",
"created_at": "2022-09-04T14:44:12.197416Z",
"structure_string": "Cr8 Fe4 O16\n1.0\n0.000064 -3.032315 0.000002\n-9.261047 0.000189 0.000016\n0.000020 0.000005 -10.803909\nCr Fe O\n8 4 16\ndirect\n0.750044 0.950054 0.383022 Cr\n0.250038 0.549944 0.883021 Cr\n0.749992 0.907227 0.904196 Cr\n0.249984 0.592773 0.404199 Cr\n0.749958 0.450050 0.116977 Cr\n0.249982 0.049953 0.616986 Cr\n0.749987 0.407205 0.595804 Cr\n0.249995 0.092790 0.095809 Cr\n0.750004 0.246003 0.829034 Fe\n0.249972 0.253995 0.329028 Fe\n0.750054 0.745983 0.670965 Fe\n0.250022 0.754020 0.170969 Fe\n0.749997 0.191450 0.653875 O\n0.750064 0.691461 0.846112 O\n0.250032 0.808543 0.346119 O\n0.249945 0.308548 0.153876 O\n0.750001 0.112652 0.971243 O\n0.749976 0.612615 0.528755 O\n0.249994 0.887379 0.028748 O\n0.249975 0.387348 0.471243 O\n0.750006 0.051844 0.215744 O\n0.749987 0.551828 0.284264 O\n0.249970 0.948177 0.784264 O\n0.249998 0.448149 0.715739 O\n0.750008 0.417851 0.932674 O\n0.749968 0.917860 0.567329 O\n0.249968 0.582144 0.067322 O\n0.250080 0.082155 0.432683 O\n",
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"formula_full": "Cr8 Fe4 O16",
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{
"id": "mp-1113262",
"created_at": "2022-09-04T14:44:12.217674Z",
"structure_string": "Cs2 Ce1 Ag1 Br6\n1.0\n0.000000 5.794265 5.794265\n5.794265 0.000000 5.794265\n5.794265 5.794265 0.000000\nCs Ce Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.750636 0.249364 0.249364 Br\n0.249364 0.249364 0.750636 Br\n0.249364 0.750636 0.750636 Br\n0.249364 0.750636 0.249364 Br\n0.750636 0.249364 0.750636 Br\n0.750636 0.750636 0.249364 Br\n",
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{
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"structure_string": "Fe42 H2 O64\n1.0\n8.185952 -0.004323 0.000000\n-0.004323 8.185952 0.000000\n0.000000 0.000000 16.397725\nFe H O\n42 2 64\ndirect\n0.000533 0.000533 0.000298 Fe\n0.999467 0.999467 0.500298 Fe\n0.997822 0.499503 0.250194 Fe\n0.002178 0.500497 0.750194 Fe\n0.127433 0.127433 0.312553 Fe\n0.127524 0.626271 0.064557 Fe\n0.128763 0.128763 0.812667 Fe\n0.128181 0.624734 0.564150 Fe\n0.128145 0.373935 0.436461 Fe\n0.127461 0.870937 0.187092 Fe\n0.128046 0.375373 0.936214 Fe\n0.129063 0.872539 0.687092 Fe\n0.249880 0.249880 0.124614 Fe\n0.253329 0.253329 0.626626 Fe\n0.249139 0.749755 0.374954 Fe\n0.250245 0.750861 0.874954 Fe\n0.375266 0.871819 0.064150 Fe\n0.375373 0.128046 0.936214 Fe\n0.373729 0.872476 0.564557 Fe\n0.373935 0.128145 0.436461 Fe\n0.483521 0.483521 0.258341 Fe\n0.516479 0.516479 0.758341 Fe\n0.499503 0.997822 0.250194 Fe\n0.499844 0.499844 0.001598 Fe\n0.500497 0.002178 0.750194 Fe\n0.500156 0.500156 0.501598 Fe\n0.626271 0.127524 0.064557 Fe\n0.624734 0.128181 0.564150 Fe\n0.626065 0.871855 0.936461 Fe\n0.624627 0.871954 0.436214 Fe\n0.749755 0.249139 0.374954 Fe\n0.746671 0.746671 0.126626 Fe\n0.750861 0.250245 0.874954 Fe\n0.750120 0.750120 0.624614 Fe\n0.870937 0.127461 0.187092 Fe\n0.871819 0.375266 0.064150 Fe\n0.872539 0.129063 0.687092 Fe\n0.872476 0.373729 0.564557 Fe\n0.871855 0.626065 0.936461 Fe\n0.871954 0.624627 0.436214 Fe\n0.871237 0.871237 0.312667 Fe\n0.872567 0.872567 0.812553 Fe\n0.377931 0.377931 0.311054 H\n0.622069 0.622069 0.811054 H\n0.112810 0.112810 0.194343 O\n0.113341 0.113341 0.694744 O\n0.113391 0.388553 0.556440 O\n0.111985 0.389491 0.056477 O\n0.134008 0.134008 0.932021 O\n0.114181 0.645005 0.677880 O\n0.134028 0.134028 0.432910 O\n0.116801 0.357185 0.321932 O\n0.114594 0.642729 0.178564 O\n0.136167 0.866548 0.067002 O\n0.114609 0.356246 0.822058 O\n0.112377 0.611986 0.943912 O\n0.133452 0.863833 0.567002 O\n0.113183 0.610520 0.443739 O\n0.112096 0.887309 0.305341 O\n0.112691 0.887904 0.805341 O\n0.389491 0.111985 0.056477 O\n0.379087 0.379087 0.180275 O\n0.388553 0.113391 0.556440 O\n0.357185 0.116801 0.321932 O\n0.357425 0.357425 0.441380 O\n0.374149 0.374149 0.687074 O\n0.356430 0.356430 0.942592 O\n0.355456 0.643885 0.057364 O\n0.354995 0.885819 0.177880 O\n0.388014 0.887623 0.443912 O\n0.356246 0.114609 0.822058 O\n0.379223 0.639863 0.310374 O\n0.356115 0.644544 0.557364 O\n0.357271 0.885406 0.678564 O\n0.389480 0.886817 0.943739 O\n0.360137 0.620777 0.810374 O\n0.642729 0.114594 0.178564 O\n0.643885 0.355456 0.057364 O\n0.639863 0.379223 0.310374 O\n0.625851 0.625851 0.187074 O\n0.645005 0.114181 0.677880 O\n0.611986 0.112377 0.943912 O\n0.610520 0.113183 0.443739 O\n0.644544 0.356115 0.557364 O\n0.620777 0.360137 0.810374 O\n0.643570 0.643570 0.442592 O\n0.620913 0.620913 0.680275 O\n0.642575 0.642575 0.941380 O\n0.611447 0.886609 0.056440 O\n0.643754 0.885391 0.322058 O\n0.610509 0.888015 0.556477 O\n0.642815 0.883199 0.821932 O\n0.863833 0.133452 0.567002 O\n0.866548 0.136167 0.067002 O\n0.887309 0.112096 0.305341 O\n0.887904 0.112691 0.805341 O\n0.885819 0.354995 0.177880 O\n0.886609 0.611447 0.056440 O\n0.885391 0.643754 0.322058 O\n0.888015 0.610509 0.556477 O\n0.885406 0.357271 0.678564 O\n0.883199 0.642815 0.821932 O\n0.886817 0.389480 0.943739 O\n0.887623 0.388014 0.443912 O\n0.886659 0.886659 0.194744 O\n0.887190 0.887190 0.694343 O\n0.865972 0.865972 0.932910 O\n0.865992 0.865992 0.432021 O\n",
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{
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"structure_string": "Cr4 Co1 Cu1 S8\n1.0\n0.000000 4.907481 4.907481\n4.907481 0.000000 4.907481\n4.907481 4.907481 0.000000\nCr Co Cu S\n4 1 1 8\ndirect\n0.621707 0.126098 0.126098 Cr\n0.126098 0.621707 0.126098 Cr\n0.126098 0.126098 0.621707 Cr\n0.126098 0.126098 0.126098 Cr\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Cu\n0.358858 0.880381 0.880381 S\n0.880381 0.358858 0.880381 S\n0.880381 0.880381 0.358858 S\n0.880381 0.880381 0.880381 S\n0.898085 0.367305 0.367305 S\n0.367305 0.898085 0.367305 S\n0.367305 0.367305 0.898085 S\n0.367305 0.367305 0.367305 S\n",
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}