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{
"id": "mp-1233475",
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{
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{
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"structure_string": "Y4 Ni4 H12 S4 O28\n1.0\n6.972635 0.000000 0.000000\n0.000000 7.368520 0.000000\n0.000000 0.000000 10.371135\nY Ni H S O\n4 4 12 4 28\ndirect\n0.234727 0.250000 0.800915 Y\n0.734727 0.250000 0.699085 Y\n0.765273 0.750000 0.199085 Y\n0.265273 0.750000 0.300915 Y\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.230315 0.250000 0.071802 H\n0.730315 0.250000 0.428198 H\n0.769685 0.750000 0.928198 H\n0.269685 0.750000 0.571802 H\n0.971253 0.952419 0.760632 H\n0.471253 0.547581 0.739368 H\n0.028747 0.452419 0.239368 H\n0.528747 0.047581 0.260632 H\n0.028747 0.047581 0.239368 H\n0.528747 0.452419 0.260632 H\n0.971253 0.547581 0.760632 H\n0.471253 0.952419 0.739368 H\n0.621365 0.250000 0.052830 S\n0.121365 0.250000 0.447170 S\n0.378635 0.750000 0.947170 S\n0.878635 0.750000 0.552830 S\n0.552128 0.250000 0.915673 O\n0.052128 0.250000 0.584327 O\n0.447872 0.750000 0.084327 O\n0.947872 0.750000 0.415673 O\n0.459546 0.250000 0.144802 O\n0.959546 0.250000 0.355198 O\n0.540454 0.750000 0.855198 O\n0.040454 0.750000 0.644802 O\n0.262100 0.915924 0.924606 O\n0.762100 0.584076 0.575394 O\n0.737900 0.415924 0.075394 O\n0.237900 0.084076 0.424606 O\n0.737900 0.084076 0.075394 O\n0.237900 0.415924 0.424606 O\n0.262100 0.584076 0.924606 O\n0.762100 0.915924 0.575394 O\n0.124931 0.250000 0.008706 O\n0.624931 0.250000 0.491294 O\n0.875069 0.750000 0.991294 O\n0.375069 0.750000 0.508706 O\n0.950615 0.066444 0.807558 O\n0.450615 0.433556 0.692442 O\n0.049385 0.566444 0.192442 O\n0.549385 0.933556 0.307558 O\n0.049385 0.933556 0.192442 O\n0.549385 0.566444 0.307558 O\n0.950615 0.433556 0.807558 O\n0.450615 0.066444 0.692442 O\n",
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"formula_full": "Y4 Ni4 H12 S4 O28",
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"spacegroup": 62
},
{
"id": "mp-1044751",
"created_at": "2022-09-04T14:41:50.796681Z",
"structure_string": "Pr2 W4 O12\n1.0\n5.559349 0.000000 0.000000\n-0.001014 5.709916 0.000000\n-0.058018 -0.080069 7.965463\nPr W O\n2 4 12\ndirect\n0.991715 0.050561 0.749666 Pr\n0.484125 0.443805 0.248870 Pr\n0.997240 0.508308 0.997315 W\n0.996943 0.507986 0.498621 W\n0.497840 0.993309 0.501036 W\n0.501211 0.990931 0.001770 W\n0.907573 0.515204 0.249280 O\n0.798116 0.796540 0.953619 O\n0.797065 0.797493 0.547398 O\n0.712289 0.263190 0.533617 O\n0.731026 0.288237 0.969912 O\n0.559642 0.020793 0.250664 O\n0.412491 0.986703 0.749273 O\n0.281607 0.694772 0.044417 O\n0.306775 0.717176 0.456782 O\n0.220357 0.222562 0.032326 O\n0.222770 0.224682 0.465483 O\n0.060347 0.477747 0.749952 O\n",
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{
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"created_at": "2022-09-04T14:41:48.870761Z",
"structure_string": "Ce16 Cd4 Ru4\n1.0\n0.000000 6.876433 6.876433\n6.876433 0.000000 6.876433\n6.876433 6.876433 0.000000\nCe Cd Ru\n16 4 4\ndirect\n0.559612 0.559612 0.940388 Ce\n0.940388 0.559612 0.940388 Ce\n0.559612 0.940388 0.940388 Ce\n0.940388 0.940388 0.559612 Ce\n0.559612 0.940388 0.559612 Ce\n0.940388 0.559612 0.559612 Ce\n0.190006 0.190006 0.809994 Ce\n0.809994 0.190006 0.809994 Ce\n0.190005 0.809995 0.809994 Ce\n0.809994 0.809995 0.190006 Ce\n0.190005 0.809994 0.190005 Ce\n0.809994 0.190006 0.190006 Ce\n0.347200 0.347200 0.958401 Ce\n0.347200 0.958401 0.347200 Ce\n0.958401 0.347200 0.347200 Ce\n0.347200 0.347200 0.347200 Ce\n0.579006 0.579006 0.262981 Cd\n0.579006 0.262981 0.579006 Cd\n0.262981 0.579006 0.579006 Cd\n0.579006 0.579006 0.579006 Cd\n0.136275 0.136275 0.591175 Ru\n0.136275 0.591175 0.136275 Ru\n0.591175 0.136275 0.136275 Ru\n0.136275 0.136275 0.136275 Ru\n",
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{
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{
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"structure_string": "Mg2 Mn3 Cr1 S8\n1.0\n6.304575 0.000411 3.640283\n2.101868 5.941903 3.640356\n0.000714 0.000596 7.279331\nMg Mn Cr S\n2 3 1 8\ndirect\n0.874311 0.877039 0.874303 Mg\n0.125725 0.122916 0.125730 Mg\n0.500076 0.500133 0.499780 Mn\n0.499989 0.499972 0.999982 Mn\n0.000008 0.499973 0.500031 Mn\n0.499885 0.000056 0.500059 Cr\n0.735013 0.743564 0.734909 S\n0.265061 0.256426 0.713465 S\n0.262391 0.712612 0.262561 S\n0.713467 0.256387 0.265146 S\n0.737596 0.287374 0.737456 S\n0.286540 0.743570 0.734877 S\n0.264974 0.256405 0.265141 S\n0.734966 0.743568 0.286561 S\n",
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{
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{
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{
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}