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{
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{
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{
"id": "mp-707342",
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"structure_string": "Zn2 H36 Ru4 Br14 N12\n1.0\n10.495229 0.000000 0.000000\n0.000000 9.250109 0.000000\n0.000000 1.105379 10.344231\nZn H Ru Br N\n2 36 4 14 12\ndirect\n0.250000 0.262554 0.506813 Zn\n0.750000 0.737446 0.493187 Zn\n0.869875 0.580597 0.144046 H\n0.369875 0.419403 0.855954 H\n0.130125 0.419403 0.855954 H\n0.630125 0.580597 0.144046 H\n0.980078 0.452843 0.141580 H\n0.480078 0.547157 0.858420 H\n0.019922 0.547157 0.858420 H\n0.519922 0.452843 0.141580 H\n0.894000 0.464271 0.273440 H\n0.394000 0.535729 0.726560 H\n0.106000 0.535729 0.726560 H\n0.606000 0.464271 0.273440 H\n0.829975 0.196281 0.340621 H\n0.329975 0.803719 0.659379 H\n0.170025 0.803719 0.659379 H\n0.670025 0.196281 0.340621 H\n0.750000 0.084196 0.258738 H\n0.250000 0.915804 0.741262 H\n0.750000 0.931830 0.778207 H\n0.250000 0.068170 0.221793 H\n0.828902 0.920366 0.915830 H\n0.328902 0.079634 0.084170 H\n0.171098 0.079634 0.084170 H\n0.671098 0.920366 0.915830 H\n0.910541 0.096560 0.695194 H\n0.410541 0.903440 0.304806 H\n0.089459 0.903440 0.304806 H\n0.589459 0.096560 0.695194 H\n0.972451 0.246913 0.736051 H\n0.472451 0.753087 0.263949 H\n0.027549 0.753087 0.263949 H\n0.527549 0.246913 0.736051 H\n0.853620 0.256365 0.633478 H\n0.353620 0.743635 0.366522 H\n0.146380 0.743635 0.366522 H\n0.646380 0.256365 0.633478 H\n0.750000 0.332652 0.108864 Ru\n0.250000 0.667348 0.891136 Ru\n0.750000 0.194287 0.867295 Ru\n0.250000 0.805713 0.132705 Ru\n0.750000 0.473242 0.882110 Br\n0.250000 0.526758 0.117890 Br\n0.570219 0.177011 0.035205 Br\n0.070219 0.822989 0.964795 Br\n0.429781 0.822989 0.964795 Br\n0.929781 0.177011 0.035205 Br\n0.250000 0.528925 0.507130 Br\n0.750000 0.471075 0.492870 Br\n0.250000 0.186517 0.742967 Br\n0.750000 0.813483 0.257033 Br\n0.067468 0.174263 0.395863 Br\n0.567468 0.825737 0.604137 Br\n0.932532 0.825737 0.604137 Br\n0.432532 0.174263 0.395863 Br\n0.890433 0.473447 0.174146 N\n0.390433 0.526553 0.825854 N\n0.109567 0.526553 0.825854 N\n0.609567 0.473447 0.174146 N\n0.750000 0.189150 0.284496 N\n0.250000 0.810850 0.715504 N\n0.750000 0.965871 0.869320 N\n0.250000 0.034129 0.130680 N\n0.886983 0.199346 0.716925 N\n0.386983 0.800654 0.283075 N\n0.113017 0.800654 0.283075 N\n0.613017 0.199346 0.716925 N\n",
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"formula_full": "Zn2 H36 Ru4 Br14 N12",
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"spacegroup": 11
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{
"id": "mp-1190291",
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"structure_string": "Tm2 Co8 B8\n1.0\n4.999848 0.000000 0.000000\n0.000000 4.999848 0.000000\n0.000000 0.000000 6.958329\nTm Co B\n2 8 8\ndirect\n0.750000 0.250000 0.250000 Tm\n0.250000 0.750000 0.750000 Tm\n0.003389 0.750000 0.111994 Co\n0.496611 0.750000 0.111994 Co\n0.750000 0.003389 0.611994 Co\n0.750000 0.496611 0.611994 Co\n0.996611 0.250000 0.888006 Co\n0.503389 0.250000 0.888006 Co\n0.250000 0.996611 0.388006 Co\n0.250000 0.503389 0.388006 Co\n0.575074 0.750000 0.407475 B\n0.924926 0.750000 0.407475 B\n0.750000 0.575074 0.907475 B\n0.750000 0.924926 0.907475 B\n0.424926 0.250000 0.592525 B\n0.075074 0.250000 0.592525 B\n0.250000 0.424926 0.092525 B\n0.250000 0.075074 0.092525 B\n",
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"density": 8.551695911561023,
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{
"id": "mp-1288012",
"created_at": "2022-09-04T14:40:19.193413Z",
"structure_string": "Li4 Mn2 Cr2 O8\n1.0\n-1.543524 2.467892 2.910836\n-0.588601 -7.234393 2.910728\n5.213640 -0.169704 -0.002465\nLi Mn Cr O\n4 2 2 8\ndirect\n0.625517 0.875161 0.375875 Li\n0.124114 0.374936 0.873318 Li\n0.252104 0.751057 0.753138 Li\n0.747340 0.250047 0.244658 Li\n0.001552 0.998498 0.004636 Mn\n0.499109 0.502331 0.495847 Mn\n0.873881 0.625296 0.122472 Cr\n0.375827 0.124841 0.626805 Cr\n0.249341 0.230466 0.268244 O\n0.768177 0.752058 0.784304 O\n0.492354 0.008832 0.975876 O\n0.990514 0.508551 0.472465 O\n0.116935 0.883160 0.350691 O\n0.616068 0.382410 0.849696 O\n0.885795 0.113914 0.657681 O\n0.381370 0.618441 0.144294 O\n",
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{
"id": "mp-754706",
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"structure_string": "Li3 Ti1 V4 O8\n1.0\n3.040855 5.221768 0.000000\n-3.040855 5.221768 0.000000\n0.000000 3.497623 4.979384\nLi Ti V O\n3 1 4 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.733660 0.733660 0.773841 O\n0.734810 0.258831 0.765797 O\n0.258831 0.734810 0.765797 O\n0.266340 0.266340 0.226159 O\n0.249912 0.249912 0.762043 O\n0.265190 0.741169 0.234203 O\n0.741169 0.265190 0.234203 O\n0.750088 0.750088 0.237957 O\n",
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{
"id": "mp-1190481",
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"structure_string": "Ce2 B8 Ir8\n1.0\n0.000000 0.000000 3.969728\n7.746195 0.000000 0.000000\n0.000000 7.746195 0.000000\nCe B Ir\n2 8 8\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.360006 0.908556 0.029303 B\n0.360006 0.591444 0.470697 B\n0.860006 0.529303 0.091444 B\n0.860006 0.970697 0.408556 B\n0.639994 0.091444 0.970697 B\n0.639994 0.408556 0.529303 B\n0.139994 0.470697 0.908556 B\n0.139994 0.029303 0.591444 B\n0.139141 0.412437 0.642073 Ir\n0.139141 0.087563 0.857927 Ir\n0.639141 0.142073 0.587563 Ir\n0.639141 0.357927 0.912437 Ir\n0.860859 0.587563 0.357927 Ir\n0.860859 0.912437 0.142073 Ir\n0.360859 0.857927 0.412437 Ir\n0.360859 0.642073 0.087563 Ir\n",
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{
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{
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"structure_string": "In4 Sb4 O16\n1.0\n5.301884 0.000000 0.000000\n0.000000 7.527686 0.000000\n0.000000 1.428648 7.496801\nIn Sb O\n4 4 16\ndirect\n0.260026 0.638321 0.156618 In\n0.739974 0.361679 0.843382 In\n0.760026 0.861679 0.843382 In\n0.239974 0.138321 0.156618 In\n0.753832 0.813784 0.331872 Sb\n0.246168 0.186216 0.668128 Sb\n0.253832 0.686216 0.668128 Sb\n0.746168 0.313784 0.331872 Sb\n0.447907 0.894373 0.190545 O\n0.552093 0.105627 0.809455 O\n0.947907 0.605627 0.809455 O\n0.052093 0.394373 0.190545 O\n0.936356 0.815285 0.101609 O\n0.063644 0.184715 0.898391 O\n0.436356 0.684715 0.898391 O\n0.563644 0.315285 0.101609 O\n0.602962 0.563388 0.323102 O\n0.397038 0.436612 0.676898 O\n0.102962 0.936612 0.676898 O\n0.897038 0.063388 0.323102 O\n0.579774 0.807459 0.566926 O\n0.420226 0.192541 0.433074 O\n0.079774 0.692541 0.433074 O\n0.920226 0.307459 0.566926 O\n",
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{
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"updated_at": "2021-11-28T01:34:56.119000Z",
"spacegroup": 47
},
{
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"structure_string": "Ca1 Ti1 Fe5 O8\n1.0\n-4.070693 -0.432257 -4.496030\n4.093451 -4.643346 -0.356453\n-4.200893 -4.753763 -0.159572\nCa Ti Fe O\n1 1 5 8\ndirect\n0.692399 0.485013 0.751408 Ca\n0.488949 0.964520 0.516649 Ti\n0.198511 0.976102 0.250441 Fe\n0.935859 0.006102 0.922775 Fe\n0.474705 0.491109 0.460444 Fe\n0.984369 0.496886 0.973607 Fe\n0.176024 0.469830 0.280847 Fe\n0.936699 0.652362 0.262600 O\n0.917197 0.174380 0.243547 O\n0.409974 0.161125 0.719563 O\n0.485756 0.311911 0.189864 O\n0.025071 0.341226 0.692195 O\n0.071494 0.830161 0.658845 O\n0.497418 0.811144 0.229302 O\n0.455576 0.703129 0.722914 O\n",
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{
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}