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{
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{
"id": "mp-1518628",
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"structure_string": "Ca2 Zr1 Ti1 O6\n1.0\n-0.000000 -4.023693 -4.023693\n4.023693 0.000000 -4.023693\n4.023693 -4.023693 -0.000000\nCa Zr Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 -0.000000 Ti\n0.757883 0.242117 0.242117 O\n0.242117 0.757883 0.757883 O\n0.757883 0.242117 0.757883 O\n0.242117 0.757883 0.242117 O\n0.757883 0.757883 0.242117 O\n0.242117 0.242117 0.757883 O\n",
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{
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"structure_string": "Ca2 B4 H16\n1.0\n6.992627 0.000000 0.000000\n0.000000 6.992627 0.000000\n0.000000 0.000000 4.350497\nCa B H\n2 4 16\ndirect\n0.500000 0.000000 0.247109 Ca\n0.000000 0.500000 0.752891 Ca\n0.200064 0.314875 0.252813 B\n0.799936 0.685125 0.252813 B\n0.314875 0.799936 0.747187 B\n0.685125 0.200064 0.747187 B\n0.374459 0.302417 0.240033 H\n0.625541 0.697583 0.240033 H\n0.302417 0.625541 0.759967 H\n0.697583 0.374459 0.759967 H\n0.138009 0.238301 0.485101 H\n0.861991 0.761699 0.485101 H\n0.238301 0.861991 0.514899 H\n0.761699 0.138009 0.514899 H\n0.170825 0.488399 0.254563 H\n0.829175 0.511601 0.254563 H\n0.488399 0.829175 0.745437 H\n0.511601 0.170825 0.745437 H\n0.125061 0.237635 0.031061 H\n0.874939 0.762365 0.031061 H\n0.237635 0.874939 0.968939 H\n0.762365 0.125061 0.968939 H\n",
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"spacegroup": 81
},
{
"id": "mp-1234112",
"created_at": "2022-09-04T14:47:11.366307Z",
"structure_string": "K4 Mg1 Zn4 H16 Br12 O8\n1.0\n5.825161 -0.237601 -4.714391\n-0.490954 12.875429 0.145056\n-0.679653 0.119608 13.322541\nK Mg Zn H Br O\n4 1 4 16 12 8\ndirect\n0.413195 0.806268 0.029931 K\n0.739679 0.343489 0.502647 K\n0.635608 0.178458 0.977704 K\n0.308421 0.681247 0.512053 K\n0.823769 0.996221 0.834916 Mg\n0.351067 0.974211 0.677088 Zn\n0.527087 0.427525 0.760443 Zn\n0.501073 0.080325 0.270952 Zn\n0.478886 0.565992 0.246236 Zn\n0.789792 0.261263 0.807370 H\n0.210865 0.763643 0.696084 H\n0.217717 0.718786 0.204748 H\n0.784002 0.241882 0.284147 H\n0.947430 0.340435 0.935777 H\n0.995752 0.813610 0.561752 H\n0.062894 0.647229 0.066777 H\n0.922373 0.184148 0.426681 H\n0.886878 0.140233 0.707862 H\n0.095847 0.652309 0.775790 H\n0.117997 0.849201 0.247130 H\n0.952870 0.350125 0.224806 H\n0.613263 0.122764 0.635695 H\n0.338705 0.611571 0.836231 H\n0.393701 0.841375 0.346218 H\n0.693518 0.379162 0.149126 H\n0.298716 0.394612 0.525727 Br\n0.826778 0.934519 0.026821 Br\n0.700260 0.599464 0.481707 Br\n0.269155 0.095921 0.026257 Br\n0.311796 0.410618 0.835947 Br\n0.886028 0.856877 0.737332 Br\n0.733259 0.596363 0.196639 Br\n0.323294 0.126194 0.357885 Br\n0.102123 0.142125 0.655578 Br\n0.758194 0.592367 0.835076 Br\n0.686518 0.917444 0.333565 Br\n0.263417 0.395676 0.171391 Br\n0.168117 0.805246 0.619367 O\n0.782469 0.310773 0.860221 O\n0.763776 0.200608 0.341112 O\n0.226398 0.675407 0.145914 O\n0.260007 0.676226 0.818008 O\n0.774543 0.135964 0.725686 O\n0.791520 0.319199 0.180536 O\n0.243467 0.801260 0.310128 O\n",
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],
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"formula_full": "K4 Mg1 Zn4 H16 Br12 O8",
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{
"id": "mp-540807",
"created_at": "2022-09-04T14:47:08.286664Z",
"structure_string": "C8 S12 N8\n1.0\n4.608952 0.000000 0.000000\n0.000000 10.256779 0.000000\n0.000000 0.000000 13.320809\nC S N\n8 12 8\ndirect\n0.473565 0.296587 0.111560 C\n0.973565 0.203413 0.888440 C\n0.026435 0.796587 0.388440 C\n0.526435 0.703413 0.611560 C\n0.526435 0.703413 0.888440 C\n0.026435 0.796587 0.111560 C\n0.973565 0.203413 0.611560 C\n0.473565 0.296587 0.388440 C\n0.470274 0.515172 0.250000 S\n0.970274 0.984828 0.750000 S\n0.029726 0.015172 0.250000 S\n0.529726 0.484828 0.750000 S\n0.273306 0.433195 0.124668 S\n0.773306 0.066805 0.875332 S\n0.226694 0.933195 0.375332 S\n0.726694 0.566805 0.624668 S\n0.726694 0.566805 0.875332 S\n0.226694 0.933195 0.124668 S\n0.773306 0.066805 0.624668 S\n0.273306 0.433195 0.375332 S\n0.605369 0.199652 0.100744 N\n0.105369 0.300348 0.899256 N\n0.894631 0.699652 0.399256 N\n0.394631 0.800348 0.600744 N\n0.394631 0.800348 0.899256 N\n0.894631 0.699652 0.100744 N\n0.105369 0.300348 0.600744 N\n0.605369 0.199652 0.399256 N\n",
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"formula_full": "C8 S12 N8",
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},
{
"id": "mp-625318",
"created_at": "2022-09-04T14:47:05.605740Z",
"structure_string": "Al2 H6 O6\n1.0\n4.969070 0.000000 0.000000\n-2.323089 4.520731 0.000000\n-1.059241 -1.574104 4.827089\nAl H O\n2 6 6\ndirect\n0.673377 0.341419 0.999601 Al\n0.343356 0.697182 0.003521 Al\n0.226705 0.862967 0.585245 H\n0.796187 0.168643 0.409103 H\n0.737659 0.731216 0.761580 H\n0.452750 0.460330 0.388526 H\n0.006323 0.161175 0.803615 H\n0.044873 0.903950 0.213679 H\n0.283082 0.946881 0.788670 O\n0.726372 0.087724 0.204147 O\n0.547638 0.559192 0.773214 O\n0.457509 0.467189 0.201323 O\n0.934885 0.309445 0.780931 O\n0.082433 0.730201 0.213617 O\n",
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],
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"density": 2.3890455079072797,
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"formula_full": "Al2 H6 O6",
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{
"id": "mp-759838",
"created_at": "2022-09-04T14:47:02.643045Z",
"structure_string": "Na2 Sn4 P6 O24\n1.0\n8.615447 0.000000 0.000000\n4.306216 7.501058 0.000000\n4.262312 2.481564 7.692428\nNa Sn P O\n2 4 6 24\ndirect\n0.835202 0.518828 0.438135 Na\n0.164798 0.481172 0.561865 Na\n0.147030 0.652079 0.064374 Sn\n0.649016 0.146687 0.557994 Sn\n0.350984 0.853313 0.442006 Sn\n0.852970 0.347921 0.935626 Sn\n0.539608 0.459606 0.747705 P\n0.747552 0.970246 0.244390 P\n0.035791 0.251055 0.247306 P\n0.964209 0.748945 0.752694 P\n0.252448 0.029754 0.755610 P\n0.460392 0.540394 0.252295 P\n0.889388 0.769698 0.235224 O\n0.533272 0.632032 0.579988 O\n0.390190 0.510825 0.910233 O\n0.741632 0.395391 0.754260 O\n0.106656 0.396893 0.227254 O\n0.793442 0.109121 0.060809 O\n0.520690 0.302576 0.728061 O\n0.224075 0.994784 0.620594 O\n0.842720 0.282909 0.393994 O\n0.544321 0.983504 0.297330 O\n0.013748 0.290144 0.074573 O\n0.172787 0.050607 0.299082 O\n0.827213 0.949393 0.700918 O\n0.986252 0.709856 0.925427 O\n0.455679 0.016496 0.702670 O\n0.157280 0.717091 0.606006 O\n0.775925 0.005216 0.379406 O\n0.479310 0.697424 0.271939 O\n0.206558 0.890879 0.939191 O\n0.893344 0.603107 0.772746 O\n0.258368 0.604609 0.245740 O\n0.609810 0.489175 0.089767 O\n0.466728 0.367968 0.420012 O\n0.110612 0.230302 0.764776 O\n",
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{
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"structure_string": "Na6 V2 S6 O2\n1.0\n4.881623 -6.014101 0.000000\n4.881623 6.014101 0.000000\n0.000000 0.000000 5.973052\nNa V S O\n6 2 6 2\ndirect\n0.881100 0.118900 0.463106 Na\n0.825982 0.585910 0.483093 Na\n0.414090 0.174018 0.483093 Na\n0.585910 0.825982 0.983093 Na\n0.118900 0.881100 0.963106 Na\n0.174018 0.414090 0.983093 Na\n0.296271 0.703729 0.385053 V\n0.703729 0.296271 0.885053 V\n0.564865 0.812527 0.500149 S\n0.881231 0.118769 0.982894 S\n0.187473 0.435135 0.500149 S\n0.812527 0.564865 0.000149 S\n0.435135 0.187473 0.000149 S\n0.118769 0.881231 0.482894 S\n0.698984 0.301016 0.601023 O\n0.301016 0.698984 0.101023 O\n",
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{
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